%chk=000212240.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000212240

0 1
S -0.241012 -0.990697 -0.214896
O -1.873057 2.492664 0.413799
N -2.508507 0.296344 0.008490
N -2.921567 -1.949221 -0.397160
N 6.293615 -0.435394 -0.181464
C -3.922287 0.162039 -0.018390
C -1.988347 -1.034766 -0.229873
C -4.161559 -1.240111 -0.272118
C -1.557690 1.349207 0.202299
C -0.199548 0.752897 0.091276
C -4.964026 1.073705 0.143647
C 0.932229 1.456207 0.242501
C 2.288774 0.931425 0.126888
C -5.472204 -1.716616 -0.361219
C 4.943994 -0.045248 -0.030632
C -6.260148 0.566979 0.049121
C 3.264054 1.343273 1.057847
C 2.666898 0.044163 -0.897622
C -6.508752 -0.798369 -0.197911
C 4.562012 0.858121 0.996274
C 3.966369 -0.439002 -0.979755
C 6.575439 -1.648210 -0.994428
C 7.180082 -0.333903 1.008040
H -4.764813 2.126845 0.334218
H 0.861135 2.530174 0.491204
H -5.661676 -2.771868 -0.552096
H -7.106499 1.243908 0.169325
H 2.991151 2.042746 1.850400
H 1.941006 -0.255043 -1.658337
H -7.540989 -1.141630 -0.262284
H 5.288720 1.188319 1.735487
H 4.228786 -1.115523 -1.790815
H 6.205111 -2.579086 -0.535497
H 7.662858 -1.744089 -1.151456
H 6.117009 -1.543353 -1.994485
H 6.914201 -1.036948 1.813809
H 7.147434 0.693718 1.412736
H 8.224304 -0.524658 0.708475


%chk=000212240-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000212240

0 1
S -0.517698 -1.291591 -0.819579
O -1.782499 1.951585 1.184955
N -2.652544 0.100274 -0.010346
N -3.331938 -1.752458 -1.202173
N 6.438656 -0.453569 -0.059549
C -4.064446 0.162520 -0.017102
C -2.303455 -1.062898 -0.732721
C -4.470745 -0.998916 -0.763866
C -1.603441 0.892186 0.522660
C -0.300822 0.263857 0.168095
C -4.978048 1.077292 0.530763
C 0.886283 0.833040 0.567701
C 2.269531 0.450305 0.370101
C -5.840220 -1.254660 -0.970307
C 5.086864 -0.156948 0.080355
C -6.348954 0.801843 0.311950
C 3.284799 1.283086 0.939942
C 2.716388 -0.700465 -0.353873
C -6.770762 -0.340512 -0.423378
C 4.647551 1.000628 0.807028
C 4.075788 -0.997723 -0.497066
C 6.862647 -1.644554 -0.812607
C 7.454885 0.428751 0.534988
H -4.642513 1.951674 1.093833
H 0.725130 1.755813 1.148077
H -6.160538 -2.134102 -1.536151
H -7.102296 1.485017 0.718763
H 2.980098 2.175110 1.501284
H 1.994873 -1.379641 -0.817810
H -7.842435 -0.514917 -0.568509
H 5.375687 1.674852 1.265056
H 4.360007 -1.889275 -1.061950
H 6.464693 -2.575404 -0.362471
H 7.961488 -1.708716 -0.806895
H 6.529060 -1.602104 -1.868514
H 7.342062 0.498412 1.635076
H 7.401911 1.453917 0.117404
H 8.457451 0.027291 0.322233


