%chk=000216995.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000216995

0 1
S -4.394881 0.114212 0.025218
N -0.564227 -0.186745 -0.974082
N 2.758158 -2.138806 0.220445
C 0.137470 -1.498951 -1.134293
C 0.270099 0.889284 -0.494614
C -1.954011 -0.248793 -0.689956
C -0.872119 1.112075 1.770883
C -2.285163 1.435986 1.253858
C 0.160502 1.521855 0.762609
C 0.288335 -2.301062 0.168999
C -2.694336 0.476623 0.209555
C 1.505813 -1.856196 0.998267
C -2.787844 -1.129607 -1.516891
C 1.264104 1.319638 -1.403289
C 1.035960 2.574703 1.075563
C -4.111330 -1.044436 -1.245824
C 2.130695 2.355188 -1.066256
C 2.018479 2.987793 0.177224
C 3.299695 -3.491340 0.544447
C 3.788816 -1.087882 0.468687
H -0.424032 -2.098296 -1.884708
H 1.145588 -1.311062 -1.576297
H -0.788181 0.025817 1.986808
H -0.706057 1.620222 2.741086
H -2.308330 2.474059 0.850107
H -2.999170 1.429860 2.104792
H -0.628231 -2.215705 0.784081
H 0.384619 -3.375026 -0.086195
H 1.486880 -2.358662 1.987954
H 1.427778 -0.765991 1.206107
H -2.347450 -1.761172 -2.277863
H 1.341404 0.841315 -2.380158
H 0.946733 3.074996 2.039344
H -4.926956 -1.571787 -1.708908
H 2.890477 2.678994 -1.775669
H 2.690996 3.801408 0.438268
H 2.528054 -4.248487 0.333905
H 3.636731 -3.620066 1.583250
H 4.150909 -3.702381 -0.122701
H 3.385322 -0.111937 0.144959
H 4.670757 -1.295012 -0.157727
H 4.121246 -0.998225 1.512416


%chk=000216995-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000216995

0 1
S -4.272893 0.073736 0.325064
N -0.327228 -0.188059 -0.602965
N 2.663669 -2.293709 0.576608
C 0.365569 -1.351822 -1.215151
C 0.359643 1.070422 -0.564567
C -1.739537 -0.279118 -0.402174
C -0.599946 1.542375 1.759611
C -2.123035 1.568828 1.454700
C 0.238385 1.940906 0.561517
C 0.327287 -2.608094 -0.313492
C -2.514707 0.507451 0.458067
C 1.229544 -2.442349 0.928865
C -2.541242 -1.243855 -1.149733
C 1.196139 1.452608 -1.649497
C 0.927485 3.177774 0.546913
C -3.891562 -1.192841 -0.880289
C 1.890436 2.678857 -1.634105
C 1.752722 3.556651 -0.534534
C 3.302730 -3.570516 0.201070
C 3.437763 -1.573540 1.608362
H -0.040109 -1.583845 -2.222750
H 1.428826 -1.084780 -1.333274
H -0.328899 0.520920 2.092419
H -0.395782 2.230516 2.599986
H -2.391732 2.580539 1.089199
H -2.689000 1.413309 2.395651
H -0.707003 -2.820027 0.016452
H 0.654187 -3.480244 -0.913846
H 1.063462 -3.298847 1.630890
H 0.914391 -1.524551 1.460557
H -2.121576 -1.938587 -1.879142
H 1.280372 0.797959 -2.523000
H 0.828909 3.842283 1.414582
H -4.695885 -1.788081 -1.307422
H 2.522658 2.954162 -2.485897
H 2.282724 4.514975 -0.517638
H 2.756536 -4.045012 -0.632515
H 3.343731 -4.304318 1.046923
H 4.337021 -3.382380 -0.138932
H 2.986156 -0.581476 1.785991
H 4.472662 -1.416891 1.253374
H 3.490433 -2.114930 2.587521


