%chk=000229229.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000229229

0 1
S -3.538900 -1.561636 0.691670
O 4.824304 0.798944 -0.545251
O 3.280401 -1.147099 -1.659194
O 3.971183 1.905766 2.018998
O -3.113886 -2.643993 -0.158097
O -4.671048 -1.751752 1.580378
N -2.262206 -1.249532 1.860115
N -1.075900 -0.924019 1.304010
N -4.134958 3.448863 -2.345127
C -3.698254 -0.111973 -0.178388
C 1.248701 -0.357011 1.344594
C 3.678542 0.352600 0.096990
C 2.812184 -0.612276 -0.482812
C 3.292818 0.948949 1.314231
C 1.610683 -0.970316 0.132889
C 2.077824 0.595085 1.938776
C -2.734899 0.259050 -1.132505
C -4.800655 0.728381 0.054294
C -3.975401 2.284448 -1.607562
C -0.009059 -0.729461 2.031346
C -2.858428 1.441808 -1.845769
C -4.951904 1.916047 -0.643492
C 5.816933 -0.238015 -0.780842
C 2.472679 -2.165655 -2.304329
C 5.235285 2.391820 1.495614
H 0.943013 -1.705641 -0.308194
H 1.811009 1.084422 2.872264
H -1.869580 -0.391819 -1.313038
H -5.553603 0.438135 0.799748
H -2.374187 -1.431603 2.867064
H 0.060522 -0.808352 3.123337
H -2.106333 1.718198 -2.579098
H -5.810834 2.554107 -0.459380
H -3.391196 3.789139 -2.929349
H -4.842476 4.118014 -2.097778
H 6.638605 0.331164 -1.226057
H 5.417478 -0.975697 -1.487903
H 6.108994 -0.707640 0.159908
H 1.497345 -1.756318 -2.583814
H 2.373998 -3.040764 -1.655298
H 3.073603 -2.394118 -3.193307
H 5.476873 3.190766 2.204970
H 5.976112 1.588287 1.514357
H 5.102416 2.773498 0.476030


%chk=000229229-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000229229

0 1
S -3.256279 -1.281733 0.878120
O 5.604637 0.117513 -0.079312
O 3.449016 -0.532815 -1.737098
O 5.129250 0.745995 2.663515
O -2.452905 -2.428025 0.047984
O -4.361203 -1.627369 2.028583
N -1.999545 -0.166732 1.914567
N -0.748773 -0.170077 1.377535
N -5.620092 2.620266 -3.087008
C -3.974598 -0.077718 -0.334833
C 1.660598 0.094543 1.514612
C 4.291919 0.090304 0.420390
C 3.157650 -0.230405 -0.396165
C 4.075080 0.454857 1.778750
C 1.860158 -0.235562 0.145723
C 2.770136 0.450260 2.318791
C -3.425708 -0.017558 -1.628846
C -5.054468 0.726981 0.073709
C -5.074286 1.725599 -2.175631
C 0.323036 0.065846 2.112463
C -3.980091 0.886157 -2.550493
C -5.605983 1.627314 -0.852013
C 6.123293 -1.147617 -0.649830
C 2.314963 -0.840932 -2.614939
C 6.046936 1.839616 2.274003
H 0.981845 -0.492166 -0.451773
H 2.648399 0.717790 3.373590
H -2.598538 -0.678948 -1.904751
H -5.462149 0.631545 1.085064
H -2.133546 -0.509487 2.895904
H 0.251733 0.270195 3.197993
H -3.571240 0.947397 -3.565571
H -6.451970 2.258868 -0.557724
H -5.251246 2.695837 -4.030755
H -6.401168 3.217099 -2.829785
H 7.163158 -0.925742 -0.934187
H 5.533800 -1.443578 -1.532722
H 6.101722 -1.945754 0.115702
H 1.613114 0.012978 -2.669127
H 1.774613 -1.743964 -2.272514
H 2.760734 -1.022636 -3.603970
H 6.794509 1.884729 3.080663
H 6.527426 1.622349 1.306291
H 5.493859 2.797583 2.220090


