%chk=000114997.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000114997

0 1
O -3.353454 -2.419762 0.244985
O 5.600446 -0.237177 -0.251043
N -2.244686 -0.372197 0.053100
N -0.435353 1.755843 -0.173506
N -4.114690 1.040845 -0.036720
C 0.021278 0.401759 -0.061439
C -2.696446 1.023664 -0.058165
C -0.854687 -0.634495 0.041809
C 1.484486 0.226912 -0.071937
C -3.378951 -1.215819 0.141556
C -1.798892 2.042977 -0.159995
C -4.525143 -0.210412 0.076044
C 2.211188 0.442402 -1.260717
C 2.151461 -0.163378 1.097044
C -5.928253 -0.658065 0.136442
C 3.588377 0.277829 -1.279943
C 3.537691 -0.337235 1.100444
C 4.242548 -0.114016 -0.089886
C 6.387500 -0.657396 0.891092
H -0.557153 -1.683718 0.114565
H 0.249913 2.499606 -0.202517
H -2.110245 3.090249 -0.239650
H 1.682857 0.732244 -2.170789
H 1.584171 -0.334228 2.014070
H -6.160408 -1.346654 -0.693293
H -6.635498 0.184936 0.082237
H -6.129244 -1.207713 1.071216
H 4.173285 0.434613 -2.184248
H 4.042338 -0.641723 2.011406
H 6.082796 -1.656409 1.215961
H 6.311244 0.078198 1.696641
H 7.401122 -0.674184 0.468037


%chk=000114997-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000114997

0 1
O -3.278880 -2.313595 0.961039
O 5.711863 -0.038393 -0.085371
N -2.257025 -0.288261 0.169346
N -0.517049 1.697430 -0.621754
N -4.158306 0.943097 -0.342668
C 0.007684 0.460323 -0.136857
C -2.772325 0.962738 -0.337522
C -0.882741 -0.521355 0.245042
C 1.477250 0.316245 -0.100110
C -3.354378 -1.133798 0.492973
C -1.883381 1.938795 -0.720921
C -4.518435 -0.274450 0.142301
C 2.307491 0.966283 -1.061310
C 2.109711 -0.473197 0.896365
C -5.936850 -0.711677 0.307839
C 3.704747 0.831198 -1.026918
C 3.509879 -0.629149 0.935005
C 4.315493 0.029942 -0.029059
C 6.394478 -0.872219 0.909713
H -0.574974 -1.514452 0.573915
H 0.139457 2.458151 -0.795839
H -2.220271 2.903960 -1.098949
H 1.858972 1.542518 -1.879976
H 1.500331 -0.953336 1.669862
H -6.136587 -1.623653 -0.285859
H -6.626777 0.086317 -0.007813
H -6.143280 -0.979050 1.361315
H 4.342268 1.319492 -1.769822
H 3.957831 -1.244055 1.720952
H 6.074431 -1.929346 0.834875
H 6.215445 -0.499131 1.936594
H 7.463526 -0.789875 0.666412


