%chk=000186950.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000186950

0 1
O 2.377355 -1.826350 -1.679423
O 2.216372 1.761226 1.316773
N 4.006060 -0.664533 -0.421718
N 3.880721 0.191788 0.724150
N 1.819369 0.025550 -0.276697
C 5.042818 -1.724384 -0.234684
C 5.127014 0.969516 0.997874
C 6.383130 -1.020794 0.043514
C 6.266900 -0.040520 1.219996
C 2.670374 -0.980539 -0.873928
C 2.587578 0.832322 0.646692
C 0.414077 0.196752 -0.557697
C -0.157490 -0.439285 -1.672518
C -0.374574 0.999011 0.287223
C -2.313082 0.532351 -1.105573
C -1.517293 -0.268837 -1.936132
C -1.729447 1.161425 0.006086
C -3.774180 0.732429 -1.405734
C -4.658907 0.289213 -0.269370
C -5.561340 1.187820 0.317556
C -4.594936 -1.034165 0.195671
C -6.393862 0.763718 1.357920
C -5.427737 -1.451176 1.235825
C -6.330094 -0.554269 1.818648
H 5.080069 -2.314389 -1.179264
H 4.782262 -2.421132 0.592082
H 4.937347 1.578140 1.911884
H 5.373048 1.668261 0.168381
H 6.715949 -0.479497 -0.865743
H 7.160163 -1.780546 0.252816
H 6.090286 -0.601140 2.160782
H 7.219333 0.505518 1.359681
H 0.445334 -1.072318 -2.330261
H 0.062573 1.500744 1.155699
H -1.955595 -0.768225 -2.799781
H -2.344517 1.778051 0.663028
H -4.070896 0.181913 -2.325789
H -3.947418 1.803734 -1.650538
H -5.617192 2.216085 -0.032397
H -3.887800 -1.731124 -0.251524
H -7.093242 1.464736 1.810371
H -5.373491 -2.477611 1.595060
H -6.978040 -0.881868 2.628258


%chk=000186950-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000186950

0 1
O 2.384718 -1.955355 -1.606270
O 2.328611 1.896443 1.216111
N 4.012313 -0.753693 -0.373605
N 3.951675 0.280311 0.612929
N 1.902756 0.027178 -0.281817
C 5.073345 -1.764949 -0.225495
C 5.203411 0.988328 0.928217
C 6.421993 -1.050253 0.010911
C 6.315598 -0.050321 1.191292
C 2.720268 -1.005274 -0.853461
C 2.676791 0.858878 0.596439
C 0.498764 0.200488 -0.545663
C -0.062770 -0.275192 -1.755781
C -0.329760 0.843814 0.409898
C -2.286382 0.537164 -1.058764
C -1.442677 -0.105905 -1.996071
C -1.702707 1.007043 0.145318
C -3.771059 0.745565 -1.348715
C -4.718479 0.303849 -0.232681
C -5.774711 1.146089 0.195823
C -4.581683 -0.972757 0.372775
C -6.677984 0.725004 1.199537
C -5.481532 -1.397757 1.373974
C -6.535414 -0.550267 1.791481
H 5.073365 -2.366446 -1.148657
H 4.839712 -2.436234 0.627872
H 5.000933 1.619365 1.808453
H 5.488041 1.649880 0.082837
H 6.717504 -0.511250 -0.909783
H 7.197740 -1.809162 0.217281
H 6.091023 -0.598522 2.126395
H 7.274401 0.478905 1.335458
H 0.564105 -0.792913 -2.484469
H 0.101982 1.228953 1.335857
H -1.866578 -0.484201 -2.934357
H -2.334841 1.498358 0.894007
H -4.026767 0.200283 -2.279317
H -3.955668 1.817392 -1.562925
H -5.890581 2.138552 -0.258211
H -3.759850 -1.628650 0.061247
H -7.487706 1.391043 1.519163
H -5.361729 -2.387313 1.829976
H -7.233172 -0.878873 2.569991


