%chk=000201228.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000201228

0 1
S -2.949642 3.794885 0.536646
S 5.575031 -0.716301 -0.394500
O -4.307778 -3.358405 -1.363543
O 5.560608 -1.992220 -1.093322
O 6.354936 0.384362 -0.932262
N -2.758125 -1.579874 0.245235
N -2.302610 1.299570 0.714980
N -0.397682 2.473829 0.258592
C -1.491561 -1.103216 0.896388
C -2.623736 -1.583921 -1.249926
C -3.103869 -2.957730 0.731266
C -1.275541 0.347235 0.635140
C -3.953433 -2.051526 -1.860484
C -4.425255 -3.387089 0.071586
C -0.107090 1.089818 0.352511
C -1.710876 2.579461 0.470813
C 1.272911 0.638184 0.163299
C -3.706428 1.321858 0.920312
C 1.566484 -0.702408 -0.145639
C 2.331461 1.561620 0.278841
C -4.193737 2.582548 0.861627
C 3.934285 -0.195492 -0.178801
C 2.889515 -1.111153 -0.319616
C 3.649801 1.145092 0.099710
C 6.129470 -1.012353 1.246328
H -0.585760 -1.680683 0.573062
H -1.586123 -1.257514 2.000138
H -1.796068 -2.233616 -1.608168
H -2.393978 -0.548948 -1.586489
H -3.227498 -2.925026 1.834357
H -2.314374 -3.707618 0.507274
H -4.776550 -1.348439 -1.644451
H -3.873840 -2.225954 -2.948534
H -4.663487 -4.447367 0.269775
H -5.266114 -2.740882 0.378671
H -4.230609 0.380051 1.082468
H 0.758154 -1.427825 -0.265153
H 2.110532 2.611894 0.491594
H -5.216781 2.899887 0.985565
H 3.106424 -2.153694 -0.581341
H 4.461602 1.877840 0.164287
H 5.566774 -1.800374 1.760301
H 7.179522 -1.341788 1.270711
H 6.091036 -0.123618 1.887152


%chk=000201228-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000201228

0 1
S -2.992083 3.981422 0.523113
S 5.641141 -0.654119 -0.470006
O -4.070753 -3.594620 -1.378480
O 5.615312 -1.923139 -1.505820
O 6.534276 0.689564 -0.745967
N -2.762102 -1.595942 0.269161
N -2.382409 1.410523 0.713223
N -0.465300 2.557724 0.249133
C -1.655102 -0.982962 1.056281
C -2.437973 -1.734633 -1.176703
C -3.177341 -2.908425 0.833906
C -1.370220 0.434666 0.647851
C -3.655839 -2.293140 -1.929362
C -4.384553 -3.451783 0.051245
C -0.194451 1.164080 0.344771
C -1.775698 2.655262 0.467216
C 1.188628 0.693999 0.145447
C -3.769030 1.448375 0.938365
C 1.492615 -0.616672 -0.321751
C 2.257846 1.603909 0.387576
C -4.268502 2.724588 0.884679
C 3.847660 -0.111979 -0.195802
C 2.829522 -1.031361 -0.493402
C 3.599179 1.207962 0.216239
C 6.202536 -1.345322 1.228092
H -0.713507 -1.575749 1.003734
H -1.976347 -0.998810 2.119104
H -1.567549 -2.421147 -1.330681
H -2.167871 -0.742360 -1.582969
H -3.454744 -2.773629 1.897319
H -2.345747 -3.654752 0.786434
H -4.497929 -1.570754 -1.862197
H -3.415453 -2.484309 -2.987643
H -4.659427 -4.461945 0.396229
H -5.250370 -2.765940 0.179597
H -4.315616 0.518650 1.086556
H 0.686235 -1.301993 -0.599143
H 2.011049 2.624124 0.695130
H -5.299619 3.043492 1.011951
H 3.081129 -2.020831 -0.890233
H 4.428863 1.906936 0.366563
H 5.543879 -2.192125 1.464119
H 7.243703 -1.659899 1.070646
H 6.121964 -0.523841 1.952880


