%chk=000231890.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000231890

0 1
S -2.160626 2.147753 -1.356196
O 1.180601 2.697794 0.507457
N -0.074535 0.950887 -0.283754
N 3.120253 -1.009391 -0.345478
C -1.316879 0.548673 -0.961868
C 0.916105 -0.086789 0.103755
C 2.017970 -0.215378 -0.973626
C 0.166528 2.309202 -0.040886
C -0.946357 3.203010 -0.531731
C -2.266167 -0.255986 -0.118361
C 4.331841 -0.166231 -0.070966
C 3.462145 -2.219748 -1.164438
C -3.052204 -1.239203 -0.741075
C -2.395133 -0.034909 1.260659
C 4.037014 0.874870 1.007257
C 4.205845 -3.240644 -0.301383
C -3.958194 -1.990712 0.011381
C -3.300176 -0.792589 2.008899
C -4.082979 -1.770124 1.386897
H -1.075135 0.026895 -1.924711
H 1.374418 0.205670 1.080713
H 0.404829 -1.057995 0.267476
H 1.608040 -0.700142 -1.881643
H 2.351425 0.797247 -1.292710
H -1.408634 3.755829 0.311237
H -0.554996 3.968902 -1.232208
H 5.139214 -0.844280 0.288449
H 4.718046 0.333334 -0.986261
H 2.512730 -2.676155 -1.523912
H 4.062140 -1.974051 -2.067248
H -2.964552 -1.418360 -1.811503
H -1.790602 0.727809 1.751863
H 3.257804 1.592397 0.701065
H 3.680746 0.401307 1.930365
H 4.933705 1.452908 1.250557
H 5.209102 -2.894398 -0.027942
H 3.666134 -3.424281 0.638168
H 4.309651 -4.196537 -0.823893
H -4.568372 -2.749934 -0.475586
H -3.396150 -0.618176 3.079795
H -4.788698 -2.357573 1.971689


%chk=000231890-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000231890

0 1
S -2.284070 2.217110 -1.514418
O 1.133210 2.948995 0.430478
N -0.130386 1.107909 -0.274233
N 3.086697 -0.942676 -0.362386
C -1.326805 0.616951 -0.966650
C 0.905297 0.146964 0.176138
C 2.028389 -0.042759 -0.878491
C 0.100777 2.466572 -0.123650
C -1.022154 3.341462 -0.686502
C -2.206000 -0.290764 -0.126605
C 4.359145 -0.241383 -0.048405
C 3.262000 -2.194233 -1.144433
C -2.835032 -1.406195 -0.730956
C -2.427207 -0.031823 1.249779
C 4.224879 0.780933 1.096835
C 3.893941 -3.340576 -0.330452
C -3.684381 -2.246992 0.024027
C -3.267528 -0.874225 2.006124
C -3.902210 -1.983105 1.395059
H -1.049701 0.107009 -1.908227
H 1.353757 0.542900 1.102122
H 0.426744 -0.819728 0.406539
H 1.590980 -0.452048 -1.812337
H 2.441201 0.955740 -1.129066
H -1.491020 3.913695 0.130083
H -0.600261 4.041221 -1.424795
H 5.101444 -1.005152 0.245419
H 4.768024 0.272470 -0.957062
H 2.257710 -2.518949 -1.476244
H 3.865666 -2.020902 -2.072824
H -2.663279 -1.615661 -1.794624
H -1.938097 0.828475 1.721332
H 3.510806 1.589617 0.857091
H 3.881534 0.278620 2.019098
H 5.205902 1.249856 1.299575
H 4.930892 -3.113423 -0.024828
H 3.301476 -3.528704 0.582088
H 3.921587 -4.267047 -0.933996
H -4.169354 -3.105324 -0.453937
H -3.431426 -0.669035 3.069890
H -4.557250 -2.634893 1.983749


