%chk=000173222.chk
%nprocshared=4
%mem=7500MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000173222

0 1
 O    3.387000       1.754900     -0.8190000    
 N    4.676400     -1.9600000E-02 -6.5300003E-02
 N    4.799200      -3.752000      4.2300001E-02
 N    7.764400       2.007000      0.5168000    
 C   -2.910800     -0.1392000      0.2786000    
 C   -1.670100      0.6177000     -0.2017000    
 C   -4.225100      0.5373000     -0.1241000    
 C  -0.3561000     -8.8699996E-02  0.1488000    
 C   -5.466300     -0.2559000      0.2909000    
 C   0.9230000      0.6323000     -0.2870000    
 C   -6.747400      0.4240000     -0.1974000    
 C    2.200200     -0.1477000      3.1500001E-02
 C   -7.990700     -0.3501000      0.2440000    
 C    3.463000      0.6262000     -0.3265000    
 C   -9.271500      0.3466000     -0.2144000    
 C    4.741800      -1.354000      0.5176000    
 C    5.969600      0.5950000     -0.3571000    
 C   -10.51010     -0.4022000      0.2511000    
 C    4.743500      -2.427000     -0.5614000    
 C    6.480000       1.395200      0.8321000    
 H   -2.875500     -0.2397000       1.370200    
 H   -2.890900      -1.155400     -0.1340000    
 H   -1.723200      0.7490000      -1.289300    
 H   -1.667100       1.622100      0.2390000    
 H   -4.266000       1.538800      0.3217000    
 H   -4.234500      0.6745000      -1.212700    
 H  -0.3182000     -0.2428000       1.234700    
 H  -0.3666000      -1.088100     -0.3047000    
 H   -5.409700      -1.270000     -0.1226000    
 H   -5.488300     -0.3522000       1.383100    
 H   0.9581000       1.614200      0.2018000    
 H   0.8771000      0.8252000      -1.366300    
 H   -6.730700      0.5007000      -1.291300    
 H   -6.792400       1.446100      0.1981000    
 H    2.180600      -1.096100     -0.5110000    
 H    2.208600     -0.3481000       1.108100    
 H   -7.995600     -0.4428000       1.336900    
 H   -7.956800      -1.366800     -0.1662000    
 H   -9.301700       1.369000      0.1803000    
 H   -9.284100      0.4204000      -1.308100    
 H    3.911500      -1.516200       1.209700    
 H    5.651600      -1.423700       1.127400    
 H    5.841900       1.263400      -1.217500    
 H    6.681700     -0.1833000     -0.6556000    
 H   -10.54430     -0.4633000       1.343600    
 H   -11.41420      0.1125000     -8.8699996E-02
 H   -10.52710      -1.420200     -0.1509000    
 H    3.852100      -2.360100      -1.191900    
 H    5.607200      -2.299100      -1.223600    
 H    5.763200       2.180500       1.096800    
 H    6.591200      0.7512000       1.711400    
 H    4.859200      -4.456300     -0.6919000    
 H    5.650700      -3.842600      0.5951000    
 H    8.116100       2.497600       1.338000    
 H    8.447500       1.281400      0.3034000    


%chk=000173222-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000173222

0 1
O 3.453623 1.718205 -0.623607
N 4.716662 -0.124982 -0.001735
N 5.197299 -3.893111 0.025933
N 7.702130 2.200441 0.394105
C -2.927051 -0.253575 0.193195
C -1.637459 0.517720 -0.167016
C -4.220307 0.518938 -0.151659
C -0.344516 -0.245759 0.198690
C -5.509854 -0.260044 0.192643
C 0.938607 0.521815 -0.187964
C -6.803666 0.517308 -0.139541
C 2.218842 -0.240761 0.206591
C -8.093082 -0.266135 0.195130
C 3.496501 0.527064 -0.173245
C -9.387159 0.513927 -0.131596
C 4.858996 -1.494473 0.529315
C 5.953799 0.606625 -0.367928
C -10.670002 -0.279015 0.200218
C 4.978836 -2.569249 -0.582538
C 6.417136 1.581910 0.746666
H -2.921493 -0.490926 1.278000
H -2.930781 -1.228886 -0.337564
H -1.635245 0.741148 -1.254365
H -1.639792 1.499621 0.350436
H -4.222322 1.488487 0.389109
H -4.220767 0.767720 -1.233737
H -0.340803 -0.451634 1.290385
H -0.352372 -1.236490 -0.303719
H -5.511695 -1.225347 -0.355943
H -5.504947 -0.517393 1.272812
H 0.947466 1.517681 0.292686
H 0.950559 0.715291 -1.277566
H -6.805469 0.781330 -1.218086
H -6.805180 1.479184 0.414959
H 2.221415 -1.243272 -0.266669
H 2.216146 -0.420966 1.302342
H -8.090977 -0.534276 1.272712
H -8.094957 -1.225981 -0.363017
H -9.386554 1.470793 0.429526
H -9.386516 0.785169 -1.207270
H 4.010233 -1.757436 1.179923
H 5.767281 -1.529945 1.164223
H 5.774923 1.194029 -1.283349
H 6.750125 -0.132354 -0.576639
H -10.709726 -0.535833 1.275854
H -11.580218 0.299843 -0.042830
H -10.708701 -1.225838 -0.371104
H 4.031786 -2.599317 -1.152091
H 5.773349 -2.255049 -1.300517
H 5.650199 2.370563 0.835819
H 6.439210 1.036466 1.719520
H 4.933062 -4.689175 -0.559085
H 6.116707 -4.017987 0.459231
H 7.797112 3.196097 0.590841
H 8.541014 1.657434 0.602314


