%chk=000208616.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000208616

0 1
O 1.700548 -1.549843 -1.535931
N -3.627988 0.747885 0.020580
N 0.486333 -1.290114 0.368925
N 2.808334 0.859665 -2.313810
C -2.111007 -0.817841 -1.214852
C -1.914014 -1.778245 -0.037535
C -3.493629 -0.143396 -1.180583
C -0.487781 -2.360493 0.005036
C -5.063599 1.125101 0.248939
C -2.762029 1.967696 -0.114446
C -0.388707 -3.495288 1.032301
C -5.832594 -0.062408 0.831379
C -2.562535 2.626266 1.251533
C 1.552195 -0.963897 -0.461917
C 2.461858 0.117496 0.000875
C 3.092186 0.964357 -0.951106
C 2.753126 0.294698 1.364070
C 3.969136 1.991415 -0.502402
C 3.614770 1.296287 1.794560
C 4.215442 2.149013 0.850976
H -1.314729 -0.043332 -1.205260
H -1.993167 -1.358219 -2.173752
H -2.646201 -2.605441 -0.099277
H -2.155849 -1.248654 0.908322
H -3.664028 0.397802 -2.136431
H -4.281575 -0.926960 -1.117699
H -0.203063 -2.753743 -1.011775
H -5.089936 1.965515 0.979159
H -5.565362 1.491528 -0.672377
H -1.769395 1.642987 -0.508238
H -3.164667 2.705317 -0.841002
H 0.637390 -3.878948 1.098329
H -1.031381 -4.336560 0.750136
H -0.685561 -3.176427 2.036665
H 0.286197 -0.759747 1.209703
H -5.940497 -0.876928 0.106452
H -5.306268 -0.476984 1.701852
H -6.834403 0.237738 1.153422
H -3.484966 3.084372 1.625550
H -2.247628 1.886005 1.999006
H -1.794581 3.404813 1.202754
H 2.305926 -0.376001 2.100502
H 4.440151 2.650648 -1.226063
H 3.830736 1.420497 2.851412
H 4.887752 2.937356 1.192986
H 2.395601 -0.015366 -2.649288
H 3.444061 1.289478 -2.966274


%chk=000208616-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000208616

0 1
O 2.030058 -1.781782 -1.474612
N -3.594306 0.808811 0.201344
N 0.230516 -1.128512 -0.183373
N 4.353712 -0.586046 -1.157694
C -2.507039 -0.716624 -1.495209
C -2.100002 -1.841515 -0.517356
C -3.792713 0.015377 -1.047011
C -0.615418 -2.261395 -0.627545
C -4.845977 0.937451 1.000174
C -2.963317 2.128538 -0.084376
C -0.303993 -3.538599 0.187349
C -5.207432 -0.350050 1.765171
C -2.287289 2.765062 1.145336
C 1.518063 -0.934796 -0.644418
C 2.271352 0.258031 -0.150401
C 3.688983 0.368243 -0.415302
C 1.636188 1.304248 0.576936
C 4.400553 1.493435 0.113961
C 2.343738 2.411008 1.076214
C 3.743166 2.490931 0.846129
H -1.676823 0.011206 -1.584994
H -2.663843 -1.133839 -2.510243
H -2.730086 -2.736667 -0.686560
H -2.306016 -1.498581 0.518325
H -4.169026 0.663295 -1.877493
H -4.579881 -0.737943 -0.856105
H -0.347218 -2.451481 -1.684035
H -4.695959 1.747893 1.735894
H -5.707136 1.250721 0.356070
H -2.194871 1.968815 -0.863036
H -3.705724 2.846868 -0.518631
H 0.769086 -3.782915 0.113296
H -0.883080 -4.396044 -0.202938
H -0.565478 -3.402008 1.253537
H -0.146271 -0.532546 0.554800
H -5.391072 -1.200611 1.083820
H -4.384655 -0.631181 2.445708
H -6.125047 -0.197663 2.363624
H -3.013519 3.021061 1.937682
H -1.548804 2.067760 1.580678
H -1.766217 3.696784 0.856839
H 0.551695 1.275680 0.739222
H 5.478799 1.568327 -0.074311
H 1.822729 3.200625 1.626501
H 4.314399 3.342929 1.232614
H 3.776336 -1.337339 -1.566903
H 5.353438 -0.505856 -1.323272


