%chk=000198307.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000198307

0 1
S 3.051328 -0.217190 -1.922377
P 3.429594 -0.254652 -0.061343
O -2.308523 1.364842 0.498497
O 5.010946 -0.185472 0.367616
O 3.029092 -1.460338 0.951037
O 3.060685 1.237426 0.757141
N -0.227574 0.233534 0.175589
N 1.074982 0.275351 0.268124
C -4.014579 -0.290964 0.700975
C -4.834786 -1.269240 0.095713
C -3.005137 0.276613 -0.094243
C -4.612342 -1.640313 -1.239628
C -2.765475 -0.081939 -1.421573
C -4.206760 0.133895 2.117236
C -5.935193 -1.916136 0.872485
C -3.587333 -1.056607 -1.989782
C -0.941763 1.340265 0.547103
C 5.834234 0.820634 -0.311518
C 2.233616 -2.570415 0.413183
C 1.715241 1.395438 0.739238
C -0.340021 2.535865 1.044745
C 1.037698 2.568216 1.148456
C 7.199461 0.611118 0.315695
C 3.132193 -3.548727 -0.314866
H -5.245119 -2.397668 -1.699642
H -1.953263 0.373692 -1.985030
H -5.196623 0.587327 2.267904
H -3.458981 0.879910 2.427550
H -4.121666 -0.718593 2.805846
H -6.504906 -2.641492 0.277239
H -6.652287 -1.170548 1.245889
H -5.540891 -2.454995 1.746713
H -3.426271 -1.363028 -3.022993
H 5.426054 1.826417 -0.097087
H 5.840064 0.618900 -1.400710
H 1.390614 -2.203048 -0.205500
H 1.837910 -2.984819 1.364228
H -0.971090 3.380122 1.324169
H 1.589528 3.431675 1.517103
H 7.938366 1.312851 -0.085429
H 7.156179 0.739862 1.406707
H 7.562807 -0.411076 0.139231
H 2.679021 -4.547218 -0.351450
H 3.331398 -3.251380 -1.354825
H 4.105273 -3.649897 0.187583


%chk=000198307-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000198307

0 1
S 3.650297 -0.400362 -2.270189
P 3.855149 -0.363421 -0.220475
O -2.394307 1.279883 0.514010
O 5.407074 -0.049074 0.437505
O 3.518395 -1.730041 0.744405
O 3.066463 1.056492 0.597917
N -0.374031 0.087591 0.101093
N 0.999174 0.062496 0.137749
C -4.274420 -0.231921 0.755571
C -5.180321 -1.174760 0.176633
C -3.211913 0.237971 -0.052233
C -4.989271 -1.600037 -1.159609
C -3.015419 -0.176665 -1.384785
C -4.451392 0.241909 2.185370
C -6.339469 -1.717820 0.992961
C -3.915917 -1.107786 -1.936682
C -1.006817 1.223191 0.496427
C 6.181027 1.107404 -0.110982
C 2.544652 -2.764543 0.248825
C 1.688643 1.152897 0.563775
C -0.329465 2.395115 0.948439
C 1.064563 2.361493 0.984032
C 7.550491 1.041928 0.556495
C 3.287052 -3.895067 -0.461861
H -5.687778 -2.323845 -1.594977
H -2.174010 0.207769 -1.966191
H -5.436447 0.726196 2.326818
H -3.671681 0.965393 2.465653
H -4.408440 -0.607816 2.893260
H -6.939833 -2.430931 0.403373
H -7.013439 -0.908864 1.335158
H -5.987369 -2.242258 1.902116
H -3.780646 -1.447518 -2.968815
H 5.642153 2.040464 0.137682
H 6.246954 1.004087 -1.211221
H 1.790282 -2.270474 -0.387797
H 2.060835 -3.102764 1.179844
H -0.904560 3.274103 1.248355
H 1.667215 3.210044 1.314279
H 8.179202 1.879068 0.200584
H 7.453551 1.116973 1.652576
H 8.057394 0.093017 0.313672
H 2.571614 -4.703133 -0.706675
H 3.744438 -3.543246 -1.402444
H 4.076025 -4.314939 0.185360


