%chk=000123775.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000123775

0 1
 O    3.676300      0.6851000      -1.616100    
 N    1.920900       3.344600     -0.3074000    
 N    3.974800      -2.249000      0.1778000    
 N   -1.446700      -1.083200     -0.3561000    
 N   -2.250200      0.4690000       1.219400    
 N   -4.617500      0.7546000       1.567000    
 C   0.8479000       3.298000      0.6854000    
 C    2.143200       4.768100     -0.5595000    
 C    3.073300      -2.753700       1.213000    
 C    5.070300      -3.216400      0.1238000    
 C    1.231300       4.407800       1.653200    
 C    2.079600       5.375600      0.8340000    
 C    4.029000      -3.203800       2.308100    
 C    5.342500      -3.504500       1.592800    
 C    1.588500       2.610900      -1.519500    
 C    3.310900      -2.089200      -1.107500    
 C    1.362400       1.147700      -1.245300    
 C    2.193000      -1.101000      -1.049400    
 C    2.420800      0.2509000      -1.306400    
 C   7.9800002E-02  0.7166000     -0.9318000    
 C   0.9086000      -1.544100     -0.7337000    
 C  -0.1480000     -0.6353000     -0.6749000    
 C   -2.536500     -0.4673000      0.2895000    
 C   -3.839600     -0.8385000     -4.8099998E-02
 C   -4.874900     -0.1815000      0.6368000    
 C   -4.120600      -1.815500      -1.018800    
 C   -3.319400       1.029000       1.807700    
 C   -6.186100     -0.5301000      0.3219000    
 C   -5.440000      -2.144200      -1.313600    
 C   -6.473700      -1.500600     -0.6422000    
 H   0.7914000       2.343600       1.217800    
 H  -0.1321000       3.525100      0.2461000    
 H    1.352400       5.199000      -1.187000    
 H    3.109600       4.956800      -1.037700    
 H    2.392400      -1.990600       1.602600    
 H    2.489200      -3.616600      0.8679000    
 H    4.772300      -4.141900     -0.3855000    
 H    5.954700      -2.811400     -0.3779000    
 H   0.3472000       4.898600       2.072600    
 H    1.823000       4.011500       2.486900    
 H    3.081800       5.452200       1.271900    
 H    1.644000       6.379800      0.8144000    
 H    3.646700      -4.081600       2.839000    
 H    4.182900      -2.406200       3.044500    
 H    6.132700      -2.849400       1.978000    
 H    5.660500      -4.540600       1.746800    
 H   0.6968000       3.029100      -2.008400    
 H    2.393900       2.724800      -2.256700    
 H    4.034300      -1.805900      -1.882500    
 H    2.913000      -3.052800      -1.459600    
 H  -0.7432000       1.426200     -0.9130000    
 H   0.7226000      -2.598600     -0.5429000    
 H   -1.545600      -2.092400     -0.4271000    
 H    4.339700      7.8800000E-02  -1.249500    
 H   -3.337000      -2.331100      -1.567000    
 H   -3.118400       1.784600       2.557400    
 H   -7.013300     -4.1000001E-02  0.8330000    
 H   -5.661500      -2.896900      -2.064100    
 H   -7.506600      -1.750900     -0.8666000    


%chk=000123775-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000123775

0 1
O 3.573718 0.166619 -0.954724
N 2.054123 3.003470 0.368290
N 4.010678 -2.228008 -0.134461
N -1.962959 -0.952085 -0.632154
N -3.007317 1.178664 -0.700806
N -5.437739 1.434247 -0.592832
C 0.845165 3.317590 1.169516
C 2.839324 4.262777 0.344980
C 3.929717 -2.160237 1.358984
C 5.150757 -3.148915 -0.426125
C 1.388988 4.186426 2.336513
C 2.744930 4.769824 1.805564
C 5.412289 -2.073384 1.791671
C 6.210474 -2.798963 0.653201
C 1.798336 2.423270 -0.971646
C 2.731262 -2.579393 -0.825068
C 1.285209 0.995159 -0.891988
C 1.733111 -1.430878 -0.760534
C 2.209461 -0.085835 -0.866154
C -0.099174 0.730093 -0.836176
C 0.349965 -1.669335 -0.669416
C -0.582063 -0.599177 -0.714187
C -3.104543 -0.176876 -0.617734
C -4.411410 -0.834169 -0.512814
C -5.558925 0.042896 -0.505845
C -4.621040 -2.243473 -0.417748
C -4.179988 1.899677 -0.682429
C -6.869104 -0.517010 -0.406084
C -5.915691 -2.771087 -0.319905
C -7.046549 -1.901492 -0.314237
H 0.346532 2.393785 1.508346
H 0.099409 3.900105 0.565396
H 2.391687 5.018625 -0.353795
H 3.874958 4.066754 0.014551
H 3.329280 -1.289487 1.669374
H 3.448225 -3.081332 1.759528
H 4.823223 -4.209480 -0.329730
H 5.507877 -2.992611 -1.458789
H 0.670012 4.978935 2.609435
H 1.561770 3.569053 3.234686
H 3.587629 4.376441 2.399625
H 2.780339 5.872460 1.856395
H 5.570869 -2.540456 2.778405
H 5.724057 -1.017872 1.866302
H 6.985330 -2.131462 0.240160
H 6.715946 -3.709843 1.016566
H 1.065064 3.047856 -1.545898
H 2.757194 2.427033 -1.518968
H 2.994442 -2.785582 -1.882925
H 2.292730 -3.512279 -0.403881
H -0.823415 1.546035 -0.873091
H -0.007674 -2.705748 -0.577331
H -2.123164 -1.958162 -0.568465
H 4.045667 -0.741243 -0.668587
H -3.778530 -2.947273 -0.418788
H -4.058024 2.985925 -0.750893
H -7.713708 0.178621 -0.404349
H -6.060566 -3.854377 -0.247680
H -8.054866 -2.322618 -0.237750


