%chk=000256714.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000256714

0 1
S -3.617152 0.902384 0.108055
O 4.193138 0.193840 -0.721322
N -0.775457 1.429868 0.080685
N 2.480405 -1.203580 0.005355
N 1.616230 1.033858 0.060667
C -0.995839 0.075459 0.056705
C -2.388551 -0.329029 0.063643
C 0.066871 -0.841351 0.026538
C 1.382813 -0.312263 0.020363
C 0.523572 1.864182 0.080271
C -2.961532 -1.575521 0.039508
C 0.776249 3.331359 0.116888
C -4.397679 -1.529958 0.058007
C -4.896957 -0.257693 0.095518
C 3.850392 -0.866816 -0.272415
C 4.779700 -2.012690 0.026461
H -0.121270 -1.906691 -0.004255
H -2.416171 -2.508362 0.008966
H 2.253840 -2.179882 0.211117
H 1.823043 3.571383 -0.138095
H 0.118271 3.870012 -0.583603
H 0.577924 3.736890 1.122170
H -4.997827 -2.429294 0.042711
H -5.931078 0.043839 0.115378
H 4.726332 -2.338485 1.073837
H 5.822524 -1.699695 -0.155668
H 4.596508 -2.884863 -0.614085


%chk=000256714-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000256714

0 1
S -3.690359 0.950476 0.105120
O 4.356146 0.233705 -0.536428
N -0.770126 1.488852 0.093663
N 2.496431 -1.132368 0.005451
N 1.633542 1.101566 0.070840
C -0.992936 0.128243 0.056800
C -2.387449 -0.306103 0.061650
C 0.089041 -0.785379 0.011591
C 1.401427 -0.241672 0.021353
C 0.528681 1.912306 0.094839
C -2.933060 -1.590073 0.037353
C 0.770104 3.399782 0.134011
C -4.369467 -1.610863 0.052719
C -4.929267 -0.339718 0.088673
C 3.875110 -0.878328 -0.219382
C 4.739322 -2.126215 -0.009445
H -0.079611 -1.865346 -0.036804
H -2.326651 -2.499154 0.009440
H 2.251414 -2.114623 0.150217
H 1.850247 3.604356 0.128909
H 0.295046 3.886171 -0.736604
H 0.309746 3.839478 1.036784
H -4.962424 -2.528271 0.037676
H -5.982283 -0.062895 0.106783
H 5.012542 -2.210853 1.058945
H 5.667218 -2.013242 -0.589518
H 4.235914 -3.062932 -0.311238


