%chk=000114709.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000114709

0 1
O 0.679180 0.762841 -2.550158
O -1.097936 -2.818856 -0.815207
N -0.041285 -0.846099 -0.183941
N 1.183900 -2.760423 -0.991042
C 0.800094 1.616843 -1.410595
C -0.571584 2.104923 -0.921243
C 1.609055 0.964500 -0.311534
C -1.495224 1.180465 -0.175352
C 1.185048 -0.234746 0.287263
C -1.276652 -0.169544 0.166416
C 2.798535 1.554787 0.134601
C -2.722493 1.760583 0.213590
C 1.930345 -0.836138 1.314460
C -2.260561 -0.904566 0.860375
C -0.062952 -2.190028 -0.672140
C 3.547042 0.961333 1.154447
C -3.693998 1.036364 0.898134
C 3.113338 -0.231991 1.742413
C -3.463715 -0.306604 1.219384
H 1.364553 2.478290 -1.855138
H -1.119606 2.476278 -1.821408
H -0.398370 3.002567 -0.283339
H 3.147755 2.482375 -0.319850
H -2.918851 2.804302 -0.033864
H 1.585810 -1.764274 1.771580
H -2.085904 -1.959184 1.093018
H 4.470630 1.429437 1.492343
H 0.031200 0.041668 -2.389845
H -4.632124 1.511417 1.180065
H 3.697415 -0.690919 2.540102
H -4.222187 -0.882769 1.747380
H 1.153888 -3.616504 -1.533239
H 1.999855 -2.186829 -1.150676


%chk=000114709-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000114709

0 1
O 0.670034 0.676451 -2.623256
O -1.134355 -2.781553 -1.045809
N -0.051045 -0.857248 -0.189792
N 1.184897 -2.671766 -1.094866
C 0.798520 1.572645 -1.458060
C -0.568934 2.097367 -0.962006
C 1.624976 0.956137 -0.336849
C -1.509653 1.181157 -0.168873
C 1.184947 -0.247954 0.270329
C -1.293992 -0.187714 0.160303
C 2.815123 1.559707 0.130792
C -2.728180 1.774925 0.261633
C 1.915695 -0.829761 1.332431
C -2.278548 -0.918919 0.874685
C -0.066524 -2.155024 -0.783499
C 3.558288 0.977504 1.182854
C -3.709068 1.053218 0.966768
C 3.107600 -0.220738 1.784554
C -3.483415 -0.309762 1.269524
H 1.350448 2.432377 -1.876603
H -1.112821 2.457785 -1.857932
H -0.370724 2.994663 -0.340681
H 3.164807 2.486876 -0.339079
H -2.905454 2.830790 0.020580
H 1.543836 -1.747774 1.800007
H -2.094820 -1.972615 1.095988
H 4.480575 1.454213 1.531896
H 0.094548 -0.090072 -2.367279
H -4.638537 1.544492 1.274144
H 3.673616 -0.672250 2.606402
H -4.235210 -0.891302 1.813584
H 1.196932 -3.576911 -1.558254
H 2.050638 -2.149447 -0.976639


