%chk=000211948.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000211948

1 1
S 2.288469 2.341420 2.195962
O 0.078409 1.366931 -0.311637
N -2.801289 0.684521 -0.355498
C -1.866809 0.593934 -1.563231
C -4.114056 -0.061191 -0.664112
C -2.139625 0.086422 0.863867
C -3.148391 2.128917 -0.058589
C -0.657932 1.548789 -1.517524
C 1.236439 0.455357 -0.391406
C -3.906139 -1.502570 -1.044117
C 2.447791 1.181935 -0.916490
C 1.368258 -0.074342 1.015115
C 2.829635 2.449778 -0.441335
C -3.780245 -1.861303 -2.395366
C -3.898975 -2.496182 -0.053714
C 1.789440 0.663550 2.121272
C 2.015500 3.138517 0.598077
C 3.231993 0.542324 -1.890002
C 1.045540 -1.439960 1.196635
C 3.986591 3.062727 -0.949873
C -3.627234 -3.204561 -2.748217
C -3.744828 -3.838161 -0.413472
C 1.885858 0.056959 3.391984
C 4.380728 1.156618 -2.389873
C 4.758138 2.419169 -1.918178
C 1.142938 -2.040966 2.444828
C -3.605195 -4.193777 -1.758819
C 1.566075 -1.285367 3.551585
H -1.504986 -0.461195 -1.643274
H -2.449115 0.794562 -2.492655
H -4.655076 0.480742 -1.477166
H -4.780433 0.006337 0.231173
H -1.169095 0.604390 1.084867
H -2.774231 0.164858 1.760471
H -1.884183 -0.978446 0.713362
H -3.548804 2.648811 -0.945983
H -3.900551 2.210785 0.747930
H -2.255944 2.691522 0.288793
H -0.023512 1.397392 -2.414635
H -0.957778 2.615051 -1.483752
H 0.954267 -0.370603 -1.090205
H -3.823687 -1.106533 -3.179161
H -4.032222 -2.236721 0.996377
H 2.310612 4.201441 0.743955
H 0.935270 3.148646 0.338591
H 2.956578 -0.447495 -2.253245
H 0.739586 -2.038936 0.339298
H 4.293112 4.041251 -0.578710
H -3.535930 -3.484851 -3.800099
H -3.744732 -4.611990 0.357711
H 2.223639 0.635721 4.257984
H 4.988094 0.651760 -3.141360
H 5.659526 2.898519 -2.304192
H 0.909180 -3.097925 2.569471
H -3.490719 -5.244052 -2.038223
H 1.651050 -1.757325 4.532205


%chk=000211948-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000211948

1 1
S 2.078888 2.499910 2.623986
O 0.344576 0.243089 -0.142739
N -2.582396 0.524109 -0.853170
C -1.502984 -0.200801 -1.691154
C -4.010925 0.191965 -1.443467
C -2.507783 0.081157 0.609868
C -2.403940 2.035005 -0.929412
C -0.067569 0.318841 -1.543277
C 1.859591 0.119296 0.040107
C -4.359021 -1.276459 -1.518054
C 2.603713 1.295831 -0.575263
C 2.090526 -0.229951 1.503939
C 2.365347 2.645008 -0.181918
C -4.102532 -2.021188 -2.700505
C -5.017097 -1.915359 -0.432538
C 2.199478 0.664923 2.610487
C 1.380977 2.942015 0.917533
C 3.563642 1.028792 -1.581967
C 2.230620 -1.624669 1.768556
C 3.089299 3.687925 -0.807533
C -4.466187 -3.382389 -2.784051
C -5.379548 -3.277130 -0.514435
C 2.462940 0.148838 3.909818
C 4.289801 2.074065 -2.194929
C 4.047040 3.410977 -1.808791
C 2.485521 -2.134242 3.053470
C -5.099245 -4.014444 -1.688284
C 2.609811 -1.231239 4.135082
H -1.562918 -1.263932 -1.411341
H -1.806098 -0.095573 -2.748156
H -4.017000 0.664522 -2.441088
H -4.709679 0.739068 -0.787141
H -1.482016 0.252767 0.964637
H -3.242049 0.664169 1.188303
H -2.745763 -0.990458 0.666933
H -2.370030 2.348265 -1.984593
H -3.257041 2.516313 -0.426486
H -1.471050 2.314218 -0.419977
H 0.561287 -0.342113 -2.178607
H 0.050455 1.348755 -1.937665
H 2.137628 -0.780169 -0.546964
H -3.642616 -1.534102 -3.569726
H -5.270874 -1.344137 0.469124
H 1.166376 4.019259 1.005622
H 0.442312 2.376143 0.809410
H 3.758684 -0.009488 -1.878713
H 2.147998 -2.322004 0.925420
H 2.912582 4.724197 -0.496292
H -4.272058 -3.944209 -3.703209
H -5.892029 -3.756918 0.325345
H 2.548260 0.845448 4.751610
H 5.036323 1.847397 -2.962865
H 4.602094 4.229985 -2.277849
H 2.596582 -3.211515 3.210075
H -5.388572 -5.068104 -1.755817
H 2.817670 -1.596456 5.146053


