%chk=000232599.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000232599

0 1
S 0.248468 -1.476101 -0.336193
O -0.106748 -2.759240 0.233620
O 0.092057 -1.255361 -1.762738
N 1.887464 -1.177824 0.100749
C 2.618957 -2.334762 0.700426
C 2.707747 -0.429435 -0.898393
C 3.904697 -1.840049 1.384001
C 3.997677 0.083440 -0.235716
C 4.790100 -1.066629 0.398395
C -0.624227 -0.201738 0.562454
C -0.180542 1.180095 0.158853
C -2.115105 -0.363330 0.398325
C 0.290962 2.061707 1.145116
C -2.930670 -0.328572 1.541132
C -0.243156 1.607973 -1.176859
C -2.701402 -0.529829 -0.865670
C 0.693692 3.353965 0.796679
C -4.316119 -0.463670 1.418090
C 0.159746 2.900679 -1.517936
C -4.086992 -0.665266 -0.980788
C 0.628560 3.777264 -0.533904
C -4.897848 -0.632422 0.158101
H 2.868884 -3.103781 -0.064908
H 1.954829 -2.829623 1.447213
H 2.112782 0.433166 -1.277474
H 2.956545 -1.062003 -1.780507
H 4.454058 -2.702273 1.804695
H 3.642045 -1.187480 2.239916
H 3.740173 0.831921 0.540243
H 4.613595 0.611127 -0.986828
H 5.682832 -0.672095 0.918020
H 5.168063 -1.747361 -0.388159
H -0.375704 -0.346215 1.654236
H 0.345120 1.743825 2.184492
H -2.489337 -0.196928 2.526869
H -0.600407 0.926855 -1.957640
H -2.081789 -0.561360 -1.769075
H 1.056930 4.032761 1.566796
H -4.942858 -0.438654 2.308229
H 0.105448 3.225732 -2.556402
H -4.534708 -0.799718 -1.964965
H 0.939192 4.784646 -0.802962
H -5.976414 -0.740138 0.064065


%chk=000232599-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000232599

0 1
S 0.274096 -1.387995 -0.400886
O -0.192190 -2.845444 0.168113
O 0.237863 -1.103494 -2.014998
N 2.049600 -1.030027 0.296427
C 2.630451 -2.289706 0.853545
C 2.911288 -0.448954 -0.777481
C 3.945922 -1.904736 1.572366
C 4.243085 -0.023401 -0.110969
C 4.924317 -1.222036 0.588570
C -0.850623 0.107364 0.570204
C -0.329718 1.425340 0.094529
C -2.285814 -0.284984 0.364733
C 0.777511 2.005887 0.778047
C -3.113443 -0.420482 1.510750
C -0.902518 2.129650 -0.999509
C -2.845176 -0.520553 -0.921438
C 1.295032 3.254824 0.380279
C -4.480737 -0.744207 1.376607
C -0.380741 3.378142 -1.397907
C -4.207939 -0.859275 -1.050636
C 0.718036 3.946043 -0.712177
C -5.033348 -0.960769 0.093792
H 2.845390 -3.035546 0.055854
H 1.905673 -2.741344 1.550288
H 2.399983 0.421071 -1.220282
H 3.106353 -1.180946 -1.591714
H 4.392774 -2.820822 2.003995
H 3.711835 -1.219358 2.409583
H 4.031830 0.772891 0.628578
H 4.902526 0.408631 -0.887874
H 5.835969 -0.889489 1.119726
H 5.246041 -1.958123 -0.176254
H -0.497893 -0.125849 1.587815
H 1.235266 1.459148 1.610226
H -2.685457 -0.264550 2.508328
H -1.762832 1.712247 -1.528515
H -2.199527 -0.497099 -1.806960
H 2.142492 3.691220 0.920374
H -5.108608 -0.838331 2.269324
H -0.832387 3.910076 -2.242342
H -4.623919 -1.056764 -2.044662
H 1.118024 4.917985 -1.021937
H -6.091894 -1.222937 -0.011917


