%chk=000189008.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000189008

0 1
O -0.765556 1.476120 -1.976795
O 0.815537 -1.261677 0.910567
O 1.152491 -2.303300 -1.046093
N 0.611150 1.106889 -0.193183
N -1.819815 3.733456 -0.358487
N -2.419388 -0.764257 -0.619936
N -2.164077 -1.987504 1.270422
C 2.950763 0.499464 -0.862244
C 3.761839 0.171913 0.411066
C 1.458801 0.140036 -0.925428
C -1.502977 2.384536 0.160024
C 4.043500 -1.327304 0.554172
C 3.124892 0.730766 1.685648
C -0.544758 1.615732 -0.782133
C -2.814206 1.568734 0.285899
C 1.159159 -1.274247 -0.416491
C -2.563659 0.120062 0.467602
C -2.409042 -0.658661 1.620045
C -2.172455 -2.038483 -0.082980
H 3.037785 1.591235 -1.057404
H 3.450470 0.006556 -1.725007
H 4.753029 0.685192 0.274902
H 1.145054 0.156090 -2.019585
H -1.050794 2.503717 1.180180
H 0.746659 1.118790 0.821303
H 4.869354 -1.505628 1.252793
H 4.319862 -1.789056 -0.399951
H 3.181335 -1.878810 0.947530
H 2.930412 1.804337 1.604528
H 2.180159 0.219355 1.922693
H 3.783573 0.582330 2.549874
H -3.460138 1.748116 -0.603445
H -3.401299 1.971568 1.142515
H -0.989855 4.319537 -0.388995
H -2.195412 3.685562 -1.305195
H -2.432038 -0.496655 -1.592528
H -2.462882 -0.353729 2.649788
H 0.453886 -2.137369 1.239456
H -2.017757 -2.922515 -0.685727


%chk=000189008-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000189008

0 1
O -0.866197 1.447994 -1.988425
O 0.626904 -1.314139 0.900960
O 1.063844 -2.355026 -1.138937
N 0.626907 1.100411 -0.221249
N -1.783057 3.740100 -0.223372
N -2.449782 -0.755067 -0.659372
N -2.210863 -2.109670 1.129461
C 2.967823 0.365918 -0.917496
C 3.811625 0.182122 0.379907
C 1.434737 0.082098 -0.917487
C -1.463423 2.371094 0.212223
C 4.091310 -1.302415 0.723842
C 3.256554 0.938694 1.612936
C -0.532057 1.613326 -0.766723
C -2.800076 1.558452 0.340233
C 1.045930 -1.328064 -0.428338
C -2.611577 0.070891 0.467994
C -2.474080 -0.793435 1.559567
C -2.213526 -2.047784 -0.222578
H 3.069404 1.412459 -1.266923
H 3.410114 -0.277222 -1.703527
H 4.792523 0.642481 0.133307
H 1.105180 0.117495 -1.972722
H -0.987776 2.428751 1.210328
H 0.754217 1.174109 0.789750
H 4.829126 -1.372252 1.544869
H 4.500682 -1.846160 -0.147309
H 3.179414 -1.827161 1.057100
H 3.025960 1.994660 1.375187
H 2.346874 0.445775 2.006158
H 4.000584 0.934587 2.430536
H -3.404517 1.785642 -0.558886
H -3.348602 1.957904 1.208862
H -1.010106 4.405066 -0.110443
H -2.156453 3.760154 -1.180779
H -2.391444 -0.406949 -1.619755
H -2.538958 -0.554303 2.618743
H 0.077396 -2.115566 1.144408
H -2.031014 -2.884075 -0.892653


