%chk=000256171.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000256171

0 1
S 1.082872 -1.599230 -0.225264
O 3.683596 0.838892 1.289002
O 1.296904 -2.868333 0.436856
O 1.428776 -1.508937 -1.642106
O -5.164343 0.791520 -1.473716
N 2.021551 -0.428710 0.587748
N -4.463622 0.311996 0.674168
C 5.316298 0.378579 -1.066423
C 5.932450 0.919662 0.225543
C 4.148855 -0.550795 -0.741660
C 4.860835 1.653278 1.016893
C 3.237245 -0.056867 0.349044
C -0.519521 -1.038911 0.021826
C -1.300973 -0.649892 -1.074178
C -1.050057 -0.967101 1.315739
C -3.137692 -0.134892 0.409357
C -2.605792 -0.200801 -0.892539
C -2.352634 -0.520587 1.521449
C -5.413677 0.752717 -0.289515
C -6.729438 1.155596 0.311818
H 6.075236 -0.165664 -1.662101
H 4.971492 1.213788 -1.708943
H 6.356594 0.088676 0.825134
H 6.779216 1.597679 0.005711
H 4.531114 -1.554635 -0.442946
H 3.547571 -0.750578 -1.669395
H 5.175764 1.911196 2.046133
H 4.487759 2.553893 0.495978
H -0.882571 -0.700199 -2.088718
H -0.440226 -1.262667 2.177342
H -3.210408 0.098809 -1.756327
H -2.750248 -0.471250 2.531382
H -4.743534 0.309531 1.658833
H -7.226852 0.328693 0.836914
H -7.418932 1.483323 -0.486590
H -6.636108 1.996923 1.011952


%chk=000256171-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000256171

0 1
S 1.157981 -1.213897 -0.399915
O 3.833778 1.472997 0.900356
O 1.541664 -2.496071 0.538421
O 1.397268 -1.291023 -2.016711
O -5.394429 1.198760 -1.322136
N 1.959765 0.361856 0.324469
N -4.678727 0.114204 0.635320
C 5.587539 -0.140093 -0.794921
C 6.177394 0.738948 0.325591
C 4.194719 -0.669903 -0.385298
C 5.230533 1.912373 0.583970
C 3.280410 0.381216 0.239792
C -0.632548 -0.771269 -0.094053
C -1.346216 -0.112204 -1.105858
C -1.206958 -1.148247 1.130379
C -3.317166 -0.163817 0.342737
C -2.704920 0.195779 -0.890504
C -2.562394 -0.840182 1.343107
C -5.636409 0.757009 -0.163855
C -7.007283 0.873553 0.500980
H 6.246883 -0.997197 -1.017578
H 5.504528 0.455588 -1.724837
H 6.310624 0.146135 1.250578
H 7.168410 1.139100 0.040265
H 4.300749 -1.477243 0.366499
H 3.676434 -1.117235 -1.252045
H 5.510307 2.508923 1.466132
H 5.167874 2.574984 -0.300694
H -0.856971 0.138837 -2.052159
H -0.616023 -1.681819 1.880893
H -3.295297 0.706326 -1.652390
H -3.036669 -1.124780 2.290463
H -5.001031 -0.196970 1.555184
H -7.423042 -0.121960 0.743977
H -7.691105 1.380964 -0.194010
H -6.952172 1.461059 1.436256


