%chk=000232145.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000232145

0 1
S 3.742569 0.334806 0.438866
O 2.188887 0.804179 0.897229
O 4.661500 1.270326 1.027534
O 3.705104 0.179175 -0.994471
N -0.940293 1.510965 -2.784072
C -0.809248 0.558311 -0.333366
C 0.007626 1.568742 0.513267
C 1.466340 1.742187 0.058932
C -2.264362 0.423984 0.136315
C -0.136990 -0.815300 -0.276056
C 1.999455 3.141781 0.326193
C -0.873579 1.080914 -1.714995
C -3.120352 -0.413850 -0.601534
C 0.670395 -1.285659 -1.319718
C -2.761824 1.091121 1.260913
C -0.316193 -1.608949 0.869342
C -4.452721 -0.573541 -0.220161
C 1.280303 -2.541305 -1.223759
C -4.099496 0.927287 1.641353
C 0.294456 -2.861139 0.960417
C -4.946916 0.098190 0.904161
C 1.092803 -3.332349 -0.087681
C 3.785312 -1.195794 1.249404
H -0.505053 2.551568 0.511110
H 0.023347 1.226162 1.573003
H 1.619869 1.443169 -1.005976
H 1.901853 3.421722 1.383286
H 3.072092 3.223432 0.091575
H 1.482115 3.897133 -0.276324
H -2.741451 -0.944221 -1.476583
H 0.847768 -0.682875 -2.212638
H -2.126603 1.744881 1.855946
H -0.939653 -1.251015 1.689106
H -5.109148 -1.221609 -0.799918
H 1.906200 -2.896396 -2.042749
H -4.477982 1.453007 2.517065
H 0.140540 -3.475270 1.846258
H -5.987176 -0.025337 1.200270
H 1.558342 -4.313526 -0.021316
H 4.210739 -1.143862 2.263606
H 2.776312 -1.637889 1.370117
H 4.368311 -1.958652 0.711049


%chk=000232145-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000232145

0 1
S 3.933119 0.419539 0.344865
O 2.223638 0.816234 0.995735
O 5.039153 1.412183 0.985861
O 3.841323 0.260734 -1.267843
N -0.810294 1.476359 -2.816139
C -0.819529 0.524088 -0.311230
C -0.009833 1.554365 0.557122
C 1.462202 1.775252 0.136560
C -2.311069 0.437839 0.135031
C -0.166798 -0.885722 -0.248795
C 1.943399 3.212510 0.379993
C -0.813498 1.035260 -1.707622
C -3.201663 -0.347393 -0.642089
C 0.639488 -1.389563 -1.296321
C -2.807288 1.088375 1.289569
C -0.365030 -1.678542 0.910296
C -4.555822 -0.479213 -0.275891
C 1.231876 -2.669935 -1.191627
C -4.166184 0.953127 1.661288
C 0.228413 -2.953410 1.017672
C -5.045218 0.170841 0.882227
C 1.028145 -3.458089 -0.036704
C 4.010433 -1.268342 1.200878
H -0.529351 2.529507 0.514545
H -0.015050 1.217106 1.609619
H 1.624072 1.490074 -0.922766
H 1.776755 3.508572 1.431154
H 3.021552 3.311172 0.164084
H 1.396237 3.911885 -0.278244
H -2.829989 -0.855967 -1.539569
H 0.808856 -0.793204 -2.199231
H -2.153706 1.707952 1.910161
H -1.000115 -1.305999 1.722083
H -5.228560 -1.086082 -0.891606
H 1.846632 -3.045849 -2.016474
H -4.534264 1.463837 2.558079
H 0.057228 -3.558808 1.914837
H -6.097562 0.070166 1.169385
H 1.473758 -4.456528 0.037161
H 3.898730 -1.060830 2.273145
H 3.173885 -1.851490 0.794446
H 4.995124 -1.687506 0.951354


