%chk=000187472.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000187472

0 1
S 1.406293 0.861486 -1.009327
O 1.728243 -1.169615 0.712620
N 3.587843 0.124468 0.264140
C -2.309748 -0.424582 0.065088
C -3.056278 0.772661 -0.092842
C 4.557568 -0.735257 0.991907
C 5.495621 -1.483972 0.033228
C -0.902270 -0.415170 -0.199497
C -0.301387 0.752068 -0.588585
C -2.382941 1.969341 -0.502667
C -1.032052 1.965670 -0.741403
C -2.980754 -1.617657 0.482602
C -4.463433 0.755513 0.165257
C 6.530571 -0.574225 -0.619815
C -4.331798 -1.605142 0.724050
C -5.082265 -0.403739 0.562437
C 2.268780 -0.251039 0.145893
H 3.994667 -1.465620 1.622756
H 5.136356 -0.086989 1.687752
H 6.009100 -2.289427 0.597674
H 4.901813 -2.003685 -0.746689
H -0.331488 -1.341496 -0.065758
H -2.965369 2.882919 -0.615768
H -0.514830 2.877617 -1.042113
H -2.396034 -2.529233 0.605503
H -5.029242 1.677393 0.040863
H 3.984779 0.882157 -0.287651
H 7.129616 -0.036783 0.124500
H 7.227006 -1.153181 -1.239557
H 6.066360 0.172134 -1.273890
H -4.850971 -2.507794 1.042459
H -6.152855 -0.425619 0.761032


%chk=000187472-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000187472

0 1
S 1.507922 1.177888 -1.112547
O 1.835784 -0.659928 0.993375
N 3.741889 0.468139 0.241092
C -2.201429 -0.442609 -0.132456
C -3.018113 0.746872 0.006205
C 4.705673 -0.259311 1.096346
C 5.290591 -1.524721 0.425290
C -0.814170 -0.308823 -0.468858
C -0.253361 0.958150 -0.635206
C -2.405828 2.030256 -0.181796
C -1.048602 2.140482 -0.486617
C -2.808238 -1.728660 0.058673
C -4.408151 0.603477 0.327546
C 6.103159 -1.226761 -0.851946
C -4.165260 -1.837432 0.370620
C -4.972399 -0.661967 0.505648
C 2.401217 0.168070 0.244173
H 4.176906 -0.537266 2.024527
H 5.517494 0.444393 1.361052
H 5.934374 -2.033216 1.170223
H 4.460197 -2.218916 0.196254
H -0.199362 -1.206411 -0.579470
H -3.016741 2.934142 -0.073209
H -0.579927 3.121818 -0.610771
H -2.187524 -2.626810 -0.040716
H -5.024243 1.504713 0.432516
H 4.082857 1.192570 -0.393038
H 6.950738 -0.546849 -0.639847
H 6.519031 -2.155419 -1.281982
H 5.471029 -0.757035 -1.628058
H -4.619167 -2.823879 0.515921
H -6.035443 -0.761754 0.751255


