%chk=000102669.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000102669

0 1
 O   0.2158000      0.5845000       2.159900    
 O   -2.302700       3.845800      0.1244000    
 N    3.353600     -0.5265000     -0.2596000    
 N   -1.028800       2.188700       1.091700    
 C  -0.4009000      0.1259000     -0.1477000    
 C   0.9188000     -0.6772000     -0.2202000    
 C  -0.4472000       1.098700      -1.347700    
 C    2.123800      0.2517000     -0.1722000    
 C   -1.578300     -0.8652000     -0.1585000    
 C  -0.3474000      0.9727000       1.134500    
 C   -1.658700       2.015300      -1.272700    
 C   -1.690000       2.783100      2.3499999E-02
 C   -2.448300     -0.9142000      0.9256000    
 C   -1.763100      -1.704500      -1.252200    
 C    3.445600      -1.471900      0.8544000    
 C    4.522100      0.3553000     -0.2746000    
 C   -3.515300      -1.812600      0.9158000    
 C   -2.830200      -2.602800      -1.262000    
 C    4.690200      -2.335800      0.7400000    
 C    4.447400       1.346000      -1.424100    
 C   -3.706400      -2.656800     -0.1781000    
 H   0.9658000      -1.281300      -1.135700    
 H   0.8995000      -1.378900      0.6201000    
 H  -0.4496000      0.5659000      -2.305500    
 H   0.4122000       1.775300      -1.366000    
 H    2.144800      0.8943000      0.7130000    
 H    2.082400      0.8900000      -1.051800    
 H   -2.595200       1.455800      -1.364900    
 H   -1.619800       2.736700      -2.096800    
 H   -1.034300       2.717500       1.959800    
 H   -2.343700     -0.2809000       1.799600    
 H   -1.097600      -1.680500      -2.109700    
 H    3.428500     -0.9659000       1.827700    
 H    2.626200      -2.194000      0.8399000    
 H    4.639800      0.8978000      0.6720000    
 H    5.437300     -0.2220000     -0.4415000    
 H   -4.197900      -1.855400       1.759600    
 H   -2.979600      -3.259600      -2.113900    
 H    4.620000      -3.176300       1.440000    
 H    4.801400      -2.757800     -0.2649000    
 H    5.603000      -1.791400       1.000800    
 H    5.429000       1.812700      -1.566500    
 H    3.745100       2.162900      -1.230300    
 H    4.182200      0.8583000      -2.368600    
 H   -4.537400      -3.356100     -0.1858000    


%chk=000102669-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000102669

0 1
O 0.060395 0.316285 2.282142
O -2.672462 3.758848 0.870151
N 3.420295 -0.368995 -0.040977
N -1.287727 2.002305 1.474180
C -0.422615 0.285862 -0.155870
C 0.943455 -0.454279 -0.334903
C -0.554944 1.480759 -1.143413
C 2.200420 0.446459 -0.256040
C -1.550501 -0.772935 -0.334576
C -0.504172 0.843759 1.283704
C -1.853697 2.282587 -0.925009
C -1.992755 2.762855 0.510934
C -1.916434 -1.625545 0.740741
C -2.164382 -0.986582 -1.596534
C 3.603594 -0.752496 1.388562
C 4.643490 0.227154 -0.640168
C -2.877099 -2.645098 0.563553
C -3.123634 -2.008243 -1.775802
C 4.367510 -2.079532 1.556221
C 4.692609 0.088288 -2.173916
C -3.488199 -2.841888 -0.695239
H 0.933485 -0.981932 -1.306777
H 1.010308 -1.231472 0.445722
H -0.498705 1.119989 -2.185377
H 0.310400 2.154611 -1.004050
H 2.073344 1.212919 0.550669
H 2.319787 1.001642 -1.203947
H -2.740455 1.660801 -1.155944
H -1.907016 3.171821 -1.575795
H -1.363771 2.330190 2.445900
H -1.443941 -1.498429 1.720876
H -1.895622 -0.365353 -2.457656
H 4.123714 0.060595 1.954999
H 2.603023 -0.850236 1.847652
H 4.758536 1.303840 -0.352217
H 5.514487 -0.302752 -0.213661
H -3.144943 -3.287583 1.409814
H -3.583208 -2.152473 -2.760202
H 4.471417 -2.332770 2.628031
H 3.824149 -2.896257 1.049822
H 5.383824 -2.030344 1.123585
H 5.633129 0.513867 -2.571456
H 3.854849 0.616657 -2.665143
H 4.635575 -0.976572 -2.459051
H -4.233413 -3.633030 -0.832740


