%chk=000201345.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000201345

0 1
S 0.315032 1.534047 -0.253840
O -1.375726 -2.043959 -1.009433
O 0.886324 0.634745 0.728659
O -0.340901 2.762913 0.201604
O 1.312097 4.410029 -1.029507
N -4.914694 1.571512 1.359150
C 3.034828 -2.702402 -0.521157
C 1.638555 -2.611090 0.107470
C 4.103463 -1.986699 0.317773
C 0.591217 -3.331080 -0.749578
C 3.940616 -0.461515 0.296632
C -0.827500 -3.148729 -0.215639
C -0.812749 0.652776 -1.280047
C 5.060638 0.239755 1.076462
C -1.993437 0.190332 -0.489095
C -2.241867 -1.192355 -0.337405
C 1.601612 2.012130 -1.356860
C -2.872790 1.100926 0.098510
C 4.881568 1.756722 1.079940
C -3.345088 -1.660139 0.386997
C 1.319095 3.373132 -1.998327
C -3.982928 0.638397 0.836006
C -4.215015 -0.747261 0.977795
H 3.017695 -2.280735 -1.543910
H 3.321030 -3.765817 -0.640093
H 1.352215 -1.543772 0.251404
H 1.656753 -3.038834 1.128065
H 4.066096 -2.350622 1.363120
H 5.106802 -2.262312 -0.060859
H 0.828915 -4.410447 -0.815581
H 0.626796 -2.952183 -1.793624
H 3.924125 -0.098601 -0.746373
H 2.952151 -0.187860 0.734441
H -1.475577 -4.015363 -0.428789
H -0.860831 -2.902478 0.857686
H -0.333391 -0.245716 -1.749782
H -1.166547 1.255163 -2.143235
H 5.078020 -0.132958 2.119900
H 6.045975 -0.020895 0.644654
H 2.568202 2.088899 -0.797328
H 1.827441 1.255844 -2.128577
H -2.686073 2.174402 0.003772
H 3.916592 2.044353 1.516734
H 4.929593 2.176107 0.070026
H 5.662327 2.245877 1.673430
H -3.523355 -2.729341 0.479826
H 0.365035 3.376111 -2.557765
H 2.144871 3.670165 -2.677086
H -5.077127 -1.104479 1.535772
H -4.556722 2.505588 1.513735
H -5.462427 1.250734 2.145363
H 0.551369 4.295882 -0.376736


%chk=000201345-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000201345

0 1
S 0.231740 1.822764 -0.129872
O -1.059289 -1.715167 -0.743714
O 0.714221 0.801824 1.050753
O -0.353362 3.322850 0.282573
O 1.495336 4.652647 -1.258134
N -5.384529 1.264503 1.364374
C 3.132939 -2.865997 -0.483797
C 1.699150 -2.659786 0.054946
C 4.218910 -2.126290 0.336378
C 0.634157 -3.441676 -0.746009
C 4.107945 -0.583964 0.286784
C -0.795635 -3.105205 -0.312685
C -1.228541 0.988484 -1.331355
C 5.247937 0.129561 1.049246
C -2.258274 0.349204 -0.496793
C -2.164060 -1.046046 -0.199503
C 1.754687 2.186694 -1.306471
C -3.333044 1.107573 0.030219
C 5.119414 1.668206 1.017730
C -3.168002 -1.655529 0.587114
C 1.486765 3.470850 -2.102249
C -4.330589 0.509166 0.842333
C -4.232536 -0.888747 1.101354
H 3.179956 -2.524680 -1.540399
H 3.363528 -3.952167 -0.497965
H 1.434993 -1.586811 0.050787
H 1.662989 -2.979004 1.117952
H 4.167155 -2.459217 1.394301
H 5.220976 -2.425470 -0.035758
H 0.787310 -4.533468 -0.622249
H 0.735151 -3.227384 -1.828749
H 4.121751 -0.257154 -0.776830
H 3.136673 -0.256616 0.707508
H -1.541586 -3.776178 -0.786394
H -0.895786 -3.170629 0.790124
H -0.638288 0.291623 -1.942316
H -1.539748 1.902509 -1.856567
H 5.248061 -0.216763 2.102897
H 6.225721 -0.173653 0.621022
H 2.586418 2.296124 -0.592240
H 1.864935 1.271968 -1.913201
H -3.374940 2.181533 -0.187176
H 4.164352 1.991245 1.474135
H 5.148509 2.049012 -0.022073
H 5.939694 2.157993 1.573957
H -3.131679 -2.725585 0.809551
H 0.541470 3.380468 -2.684310
H 2.310336 3.604561 -2.827882
H -4.997621 -1.379179 1.715493
H -5.409846 2.272133 1.241169
H -6.070679 0.841035 1.981257
H 0.787158 4.506737 -0.554967


