%chk=000231913.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000231913

0 1
S 4.214924 1.625998 0.103245
O 4.595298 2.318800 -1.122926
O 4.608785 2.170342 1.398071
N -1.715813 1.178694 0.109158
N 6.187307 -3.948302 -0.235577
C 2.485588 1.459527 0.102484
C 4.798169 0.004729 0.004651
C 1.782053 1.481878 -1.105546
C 1.794774 1.336861 1.311935
C 5.050268 -0.578038 -1.243921
C 5.062999 -0.720469 1.173435
C 0.395481 1.337847 -1.119886
C 0.408398 1.191423 1.323560
C -0.293367 1.192109 0.101152
C 5.530444 -1.878360 -1.340391
C 5.543360 -2.022824 1.111495
C 5.774105 -2.615484 -0.154873
C -6.187851 -0.703302 -0.055350
C -2.434080 0.107232 0.032555
C -4.719878 -0.805767 -0.067357
C -3.902119 0.250357 0.051138
C -6.848212 0.365676 -0.683352
C -6.941383 -1.701874 0.587615
C -8.243794 0.435850 -0.663096
C -8.335082 -1.621843 0.609354
C -8.988924 -0.554416 -0.016089
H 2.320505 1.623259 -2.050014
H 2.343209 1.364781 2.260807
H 4.879023 0.002713 -2.158613
H 4.901728 -0.251255 2.151747
H -0.154154 1.364764 -2.058301
H -0.131703 1.105858 2.264138
H 5.716159 -2.322344 -2.313317
H 5.739007 -2.577867 2.023551
H 6.566278 -4.392651 0.584517
H 6.557326 -4.293056 -1.106123
H -2.047290 -0.923286 -0.046995
H -4.332125 -1.823887 -0.173329
H -4.278131 1.272455 0.173307
H -6.273375 1.137834 -1.193277
H -6.438790 -2.534394 1.076701
H -8.751058 1.266164 -1.152849
H -8.914886 -2.393345 1.114122
H -10.075773 -0.495989 0.000746


%chk=000231913-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000231913

0 1
S 4.221735 1.517875 -0.487090
O 4.378768 1.818518 -2.092494
O 4.808252 2.508213 0.681486
N -1.772859 1.175576 0.599401
N 6.730207 -3.927122 0.484288
C 2.363197 1.354885 -0.161396
C 4.961242 -0.180715 -0.178167
C 1.521577 1.072469 -1.249515
C 1.887678 1.612248 1.136343
C 5.082565 -1.070395 -1.260050
C 5.440226 -0.482787 1.108779
C 0.134817 0.988905 -1.014513
C 0.499446 1.541390 1.358114
C -0.390218 1.200773 0.297931
C 5.673446 -2.326613 -1.036527
C 6.030673 -1.739495 1.329895
C 6.148761 -2.683164 0.263197
C -6.361319 -0.516203 -0.204133
C -2.593960 0.343722 -0.010368
C -4.904893 -0.470166 -0.372719
C -4.021665 0.388912 0.240070
C -7.074994 0.371792 0.655611
C -7.104741 -1.492428 -0.930625
C -8.474001 0.280303 0.780990
C -8.505955 -1.583373 -0.804901
C -9.197691 -0.696680 0.052566
H 1.946123 0.960342 -2.252915
H 2.584965 1.897395 1.930871
H 4.746566 -0.768936 -2.257891
H 5.376096 0.264184 1.907097
H -0.547408 0.807251 -1.852413
H 0.072416 1.748957 2.343698
H 5.780019 -3.034088 -1.867156
H 6.412711 -1.994025 2.325390
H 7.087551 -4.180778 1.400833
H 6.837741 -4.595217 -0.273436
H -2.233070 -0.438077 -0.713849
H -4.486720 -1.212562 -1.071007
H -4.354120 1.157249 0.948085
H -6.533605 1.134818 1.225189
H -6.571481 -2.182055 -1.596954
H -9.006483 0.969726 1.445435
H -9.057696 -2.340962 -1.371969
H -10.286501 -0.763264 0.153119


