%chk=000220602.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000220602

0 1
O -2.416316 -0.312476 1.833291
O 6.633251 0.997620 0.131374
O 6.419797 -0.206352 1.915779
N 0.358298 -3.884327 -0.613688
N 6.008355 0.242401 0.858544
C -0.364904 -0.508840 -0.022189
C 0.700497 -1.299402 -0.842838
C -1.801025 -0.916642 -0.397774
C -0.181589 0.983511 -0.217256
C 2.097973 -0.909406 -0.391728
C -2.782198 -0.535447 0.699560
C -0.170396 1.556667 -1.497972
C -0.039686 1.805913 0.909871
C 2.856776 -0.031990 -1.182559
C 2.623461 -1.405864 0.812206
C 0.511300 -2.743470 -0.705735
C -4.220930 -0.445310 0.304829
C -0.001999 2.935705 -1.647461
C 0.128247 3.184907 0.755697
C 4.135581 0.348311 -0.777474
C 3.901921 -1.034074 1.225162
C 4.651857 -0.157727 0.425317
C 0.151266 3.751928 -0.522099
C -4.778240 -1.279278 -0.674735
C -5.027964 0.495362 0.963537
C -6.131870 -1.163173 -1.000282
C -6.379443 0.614638 0.629000
C -6.931238 -0.213955 -0.352867
H -0.214188 -0.760304 1.066282
H 0.571542 -1.045448 -1.934929
H -1.877413 -2.013230 -0.557727
H -2.101523 -0.453801 -1.359527
H -0.299587 0.933974 -2.380195
H -0.075134 1.371840 1.910770
H 2.446509 0.369560 -2.110303
H 2.035317 -2.086958 1.431218
H 0.006893 3.376555 -2.643173
H 0.239538 3.818205 1.635415
H 4.738169 1.034859 -1.383117
H 4.325185 -1.415363 2.161841
H 0.284650 4.825842 -0.640627
H -4.167864 -2.028128 -1.177958
H -4.591888 1.126680 1.742100
H -6.566420 -1.814250 -1.757587
H -7.002538 1.348983 1.138084
H -7.986130 -0.123848 -0.612073


%chk=000220602-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000220602

0 1
O -2.435243 0.184440 1.730521
O 6.750056 0.879825 0.422254
O 6.436256 -0.522861 2.193448
N 0.149240 -3.831838 -0.679908
N 6.040825 0.041490 1.101667
C -0.371856 -0.359878 -0.072642
C 0.702678 -1.224872 -0.857723
C -1.819132 -0.790355 -0.416930
C -0.140603 1.129613 -0.343967
C 2.123401 -0.926558 -0.359688
C -2.832318 -0.284286 0.623208
C -0.269481 1.662412 -1.653445
C 0.204534 2.005164 0.713498
C 2.942931 -0.010451 -1.063815
C 2.610148 -1.522839 0.831963
C 0.403555 -2.668454 -0.758567
C -4.296684 -0.387572 0.313061
C -0.051382 3.035537 -1.901083
C 0.424372 3.379788 0.470553
C 4.229673 0.313650 -0.592729
C 3.892897 -1.211595 1.319086
C 4.685371 -0.293066 0.596669
C 0.299832 3.899957 -0.837875
C -4.788705 -1.028474 -0.856654
C -5.221474 0.167430 1.240058
C -6.177237 -1.111404 -1.092934
C -6.606690 0.089783 1.000281
C -7.088485 -0.550427 -0.167785
H -0.220907 -0.542954 1.006717
H 0.637971 -0.955630 -1.930746
H -1.899902 -1.897484 -0.438248
H -2.108628 -0.436543 -1.423963
H -0.550116 1.008695 -2.490733
H 0.284075 1.609406 1.731877
H 2.571837 0.458672 -1.980771
H 1.989165 -2.245388 1.373104
H -0.157865 3.431521 -2.917361
H 0.688008 4.043268 1.301542
H 4.876964 1.018691 -1.120228
H 4.289001 -1.662880 2.232355
H 0.469164 4.965737 -1.026857
H -4.097502 -1.474627 -1.579109
H -4.823788 0.651709 2.138045
H -6.549668 -1.612094 -1.993070
H -7.312042 0.523194 1.717433
H -8.166341 -0.613051 -0.354507


