%chk=000234277.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000234277

0 1
S -4.004940 0.972204 1.649703
O 3.903646 -1.018362 -1.179065
O 6.133934 -1.176164 -1.518213
N 1.679392 -1.046258 0.873178
N -1.823585 0.147224 -0.395658
C 4.026165 -1.665241 0.140248
C 2.598105 -2.147790 0.443970
C 2.260761 -0.239863 1.994949
C 4.596650 -0.675317 1.154786
C 3.572645 0.400947 1.517766
C 0.334909 -1.594943 1.254475
C -0.473634 -1.939790 -0.007468
C -0.714469 -0.714077 -0.902495
C -1.506042 1.204397 0.502749
C -3.159447 -0.257259 -0.672263
C 5.045728 -0.822493 -1.913432
C -2.451288 1.734455 1.402724
C -4.246532 0.126949 0.138475
C -0.220122 1.794364 0.469090
C -3.433179 -1.029912 -1.825231
C -2.160366 2.846641 2.193107
C -5.557932 -0.206969 -0.196158
C 4.692872 -0.149308 -3.194697
C 0.073284 2.890852 1.274896
C -4.744128 -1.379506 -2.144425
C -0.893041 3.430234 2.132422
C -5.811902 -0.969621 -1.339600
H 4.712984 -2.533249 0.002908
H 2.662789 -2.973395 1.187552
H 2.167272 -2.575843 -0.492965
H 2.433065 -0.833222 2.917322
H 1.527766 0.558759 2.251631
H 4.917954 -1.225187 2.061160
H 5.518443 -0.212689 0.744244
H 3.973273 1.071857 2.298505
H 3.370480 1.031421 0.626389
H -0.215653 -0.815503 1.831083
H 0.396499 -2.486430 1.914268
H -1.440028 -2.391581 0.295100
H 0.052710 -2.714678 -0.598667
H 0.226391 -0.108325 -0.974204
H -0.952304 -1.036525 -1.942206
H 0.553895 1.375508 -0.182646
H -2.618879 -1.345769 -2.476948
H -2.917233 3.258054 2.863734
H -6.387534 0.118696 0.434719
H 4.971856 -0.777171 -4.054992
H 3.615900 0.070487 -3.269519
H 5.239007 0.801496 -3.297204
H 1.067331 3.336055 1.231533
H -4.936735 -1.975633 -3.036618
H -0.659487 4.295260 2.747073
H -6.831648 -1.239992 -1.600285


%chk=000234277-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000234277

0 1
S -2.837805 0.953582 2.047555
O 3.555888 -0.532836 -0.790466
O 5.867078 -0.339251 -1.074648
N 1.358155 -1.630491 0.910706
N -1.434388 -0.026556 -0.489816
C 3.783988 -1.512678 0.331678
C 2.522867 -2.383358 0.414393
C 1.597461 -1.015168 2.235348
C 4.053478 -0.758292 1.647106
C 2.787125 -0.036288 2.156330
C 0.071913 -2.344395 0.770182
C -0.450626 -2.333679 -0.687453
C -0.510528 -0.897238 -1.256689
C -0.994543 1.262922 -0.058333
C -2.822264 -0.356403 -0.442516
C 4.700398 -0.015870 -1.402002
C -1.592209 1.888854 1.071441
C -3.636951 0.089532 0.636231
C 0.030200 1.973478 -0.741802
C -3.442210 -1.123743 -1.467157
C -1.196205 3.171727 1.497204
C -5.016928 -0.187672 0.677830
C 4.334582 0.964417 -2.497695
C 0.457850 3.240808 -0.291669
C -4.817360 -1.436607 -1.406821
C -0.152716 3.850795 0.826741
C -5.614959 -0.967164 -0.339793
H 4.662454 -2.124986 0.054273
H 2.770008 -3.257249 1.077471
H 2.300425 -2.789267 -0.588256
H 1.805648 -1.789268 3.022478
H 0.681956 -0.474161 2.535306
H 4.378709 -1.510963 2.395097
H 4.897744 -0.060171 1.509407
H 2.976822 0.404459 3.153252
H 2.518661 0.784909 1.466593
H -0.668882 -1.826751 1.406764
H 0.130345 -3.402458 1.130322
H -1.442999 -2.821114 -0.711245
H 0.210980 -2.928898 -1.347732
H 0.502809 -0.480900 -1.144154
H -0.763354 -0.913385 -2.337619
H 0.491317 1.538722 -1.633337
H -2.850585 -1.471145 -2.319144
H -1.692566 3.627897 2.360416
H -5.615610 0.190017 1.513581
H 4.742479 0.608403 -3.459762
H 3.244664 1.086431 -2.578066
H 4.804290 1.940538 -2.285570
H 1.258944 3.758744 -0.830794
H -5.265714 -2.038128 -2.205270
H 0.169249 4.838979 1.170463
H -6.683486 -1.200888 -0.295558


