%chk=000115458.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000115458

0 1
Cl -7.931232 3.333203 0.623855
S -1.724464 0.872987 0.254389
N 2.151953 -0.258052 0.160481
N 4.996953 -0.602752 -0.348083
N 6.323531 1.174649 -1.256502
N 6.644160 0.426899 1.055734
C 3.121957 -0.359276 1.300891
C 2.799677 0.396195 -1.024393
C 4.344014 -1.189912 0.858223
C 4.020471 -0.436979 -1.464180
C 0.910822 0.480385 0.574188
C -0.243734 -0.048443 -0.277278
C 5.980180 0.379645 -0.166733
C -3.094852 -0.036909 -0.565397
C -4.314649 0.780501 -0.242546
C -3.095916 -1.459002 -0.085419
C -4.361735 2.118363 -0.680021
C -5.407759 0.245116 0.455834
C -3.160525 -2.499070 -1.026135
C -3.020175 -1.768793 1.282334
C 7.396176 1.986408 -1.113149
C 7.709514 1.255615 1.146492
C 8.134911 2.060192 0.077974
C -5.476726 2.913768 -0.412300
C -6.531817 1.030614 0.727098
C -3.146037 -3.831344 -0.603182
C -3.005331 -3.101609 1.699167
C -6.547327 2.355426 0.290393
C -3.067345 -4.135543 0.758744
H 2.613986 -0.881087 2.141271
H 3.455845 0.629612 1.682939
H 3.109435 1.446341 -0.830342
H 2.058654 0.426007 -1.852200
H 5.074256 -1.279661 1.694590
H 4.030007 -2.223840 0.583831
H 3.702020 -1.460875 -1.768734
H 4.511241 0.030825 -2.347908
H 0.704539 0.280732 1.651060
H 1.010586 1.584230 0.474662
H -0.065258 0.102296 -1.356311
H -0.379441 -1.138045 -0.122862
H -2.922787 -0.005346 -1.673471
H -3.521690 2.548088 -1.229578
H -5.394198 -0.793795 0.791061
H -3.225937 -2.274452 -2.089377
H -2.968825 -0.967881 2.022432
H 7.655217 2.596692 -1.988212
H 8.224357 1.269336 2.116055
H 8.993090 2.714009 0.170442
H -5.511567 3.951143 -0.744213
H -7.379859 0.614268 1.270227
H -3.195989 -4.633128 -1.338393
H -2.943357 -3.335813 2.761055
H -3.053817 -5.173141 1.086897


%chk=000115458-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000115458

0 1
Cl -8.556662 2.906315 0.203359
S -1.906876 0.964753 0.762865
N 2.171990 0.157642 0.573250
N 4.960070 -0.017500 -0.075335
N 6.629394 0.956344 -1.434560
N 7.112869 0.236652 0.864180
C 3.195474 0.115632 1.650228
C 2.712036 0.839982 -0.631342
C 4.454298 -0.631641 1.166127
C 3.962429 0.105468 -1.153728
C 0.872201 0.712524 1.025365
C -0.287464 0.168902 0.171043
C 6.265149 0.402004 -0.218615
C -3.137997 0.005780 -0.369402
C -4.492018 0.694573 -0.214938
C -3.148381 -1.498726 -0.114035
C -4.747870 1.887342 -0.941047
C -5.501036 0.192827 0.643983
C -3.386930 -2.371750 -1.207117
C -2.969270 -2.057315 1.176379
C 7.922002 1.355482 -1.551652
C 8.394304 0.652480 0.695133
C 8.869163 1.226903 -0.508014
C -5.978119 2.567325 -0.821368
C -6.739114 0.860792 0.778906
C -3.452820 -3.769919 -1.015387
C -3.034446 -3.455298 1.371036
C -6.957732 2.039327 0.042335
C -3.278029 -4.317370 0.276707
H 2.772309 -0.419710 2.519994
H 3.489229 1.142684 1.985017
H 2.979297 1.904497 -0.408795
H 1.944236 0.842869 -1.425411
H 5.255104 -0.596797 1.919829
H 4.188074 -1.689149 0.964582
H 3.668441 -0.908019 -1.494558
H 4.425257 0.648514 -1.991336
H 0.710743 0.403177 2.074804
H 0.865372 1.831049 1.011168
H -0.160057 0.415562 -0.897336
H -0.366860 -0.923898 0.286877
H -2.768442 0.193472 -1.394764
H -3.972701 2.295296 -1.600116
H -5.330791 -0.732337 1.202797
H -3.527258 -1.954142 -2.212110
H -2.755261 -1.386370 2.016703
H 8.198156 1.792481 -2.518716
H 9.055425 0.516826 1.559399
H 9.904901 1.552610 -0.623815
H -6.170622 3.484867 -1.384603
H -7.516484 0.468506 1.440942
H -3.635291 -4.429515 -1.871226
H -2.890289 -3.871464 2.374623
H -3.323900 -5.401741 0.427092


