%chk=000197435.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000197435

0 1
O 3.199060 -1.241350 0.618529
O 5.025670 -0.547044 -2.448900
O 5.624742 -2.983565 -1.526826
O -7.239305 -1.693726 -0.937876
N -0.288514 2.895014 -0.281194
N -3.340582 2.012834 -0.821576
N -0.700935 -2.929624 1.267939
C 2.556127 0.930080 1.152764
C 3.278845 0.095996 0.058275
C 4.744819 0.450773 -0.212045
C 1.214701 1.325218 0.646189
C 5.437440 -0.603872 -1.075022
C 5.180805 -2.040545 -0.555059
C 3.680117 -2.293850 -0.260466
C 3.325047 2.171728 1.657071
C 0.046420 0.650213 0.503462
C 0.956433 2.722253 0.129801
C -0.954698 1.635234 -0.072151
C 3.168501 3.403245 0.814021
C -0.384088 -0.690571 0.758455
C 2.049036 3.682157 0.126959
C -2.231857 1.261279 -0.294494
C 3.449642 -3.569880 0.527020
C -2.681214 -0.149573 0.012920
C -1.816466 -1.048736 0.498801
C -4.107617 -0.178183 -0.341270
C -4.385090 1.221120 -0.856431
C 0.237917 -1.823154 1.199200
C -5.741488 1.554381 -1.370040
C -1.877975 -2.493974 0.873734
C -5.045226 -1.122768 -0.266017
C -6.824016 0.654817 -0.767372
C -6.446551 -0.814162 -0.697827
H 2.425942 0.234259 2.034751
H 2.701805 0.103277 -0.895054
H 4.809896 1.442541 -0.705060
H 5.294721 0.548289 0.747569
H 6.534149 -0.411670 -1.163372
H 5.805642 -2.262829 0.339271
H 3.084550 -2.272726 -1.198129
H 4.395852 1.923035 1.802859
H 2.950464 2.418278 2.679768
H 4.014567 4.091665 0.828402
H 1.905862 4.597755 -0.449622
H 3.771409 -3.462747 1.571621
H 2.389067 -3.854074 0.544870
H 4.014601 -4.404470 0.085261
H 4.055430 -0.446084 -2.530968
H 5.439230 -2.644453 -2.442152
H 1.276890 -1.990690 1.468353
H -5.981512 2.625635 -1.176429
H -5.735628 1.460065 -2.482254
H -2.774606 -3.097933 0.820655
H -4.869764 -2.139167 0.085821
H -7.769480 0.764083 -1.342525
H -7.074086 0.992596 0.263291


%chk=000197435-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000197435

0 1
O 2.867032 -1.072992 0.142962
O 5.931055 -0.275279 -1.775897
O 5.570227 -2.997157 -1.652931
O -7.364348 -1.824992 -0.234908
N -0.243899 2.649500 -0.674701
N -3.218661 1.692774 -1.112049
N -0.773123 -2.723190 2.167321
C 2.646580 1.080876 1.190219
C 3.495544 0.260548 0.165379
C 4.991920 0.116401 0.523631
C 1.269877 1.338979 0.625632
C 5.706832 -0.867437 -0.426092
C 4.939878 -2.202898 -0.597085
C 3.438550 -1.959782 -0.903833
C 3.306418 2.446626 1.562372
C 0.080335 0.620507 0.597374
C 1.007439 2.578328 -0.164567
C -0.863511 1.463323 -0.205055
C 3.144238 3.522017 0.500631
C -0.388501 -0.633059 1.144190
C 2.030640 3.592728 -0.302246
C -2.174551 1.051664 -0.383964
C 2.618748 -3.246535 -0.899705
C -2.655329 -0.220876 0.224816
C -1.800793 -1.022266 0.956200
C -4.075025 -0.297663 -0.157813
C -4.303091 0.918749 -0.982688
C 0.188094 -1.682750 1.853735
C -5.624432 1.147008 -1.653783
C -1.936277 -2.330493 1.639931
C -5.074935 -1.208783 0.097981
C -6.781691 0.472195 -0.868981
C -6.464884 -0.937918 -0.350246
H 2.587601 0.450396 2.099058
H 3.384166 0.730490 -0.842259
H 5.516330 1.087721 0.466908
H 5.074150 -0.258818 1.562257
H 6.730921 -1.077571 -0.075255
H 5.020431 -2.798650 0.330359
H 3.347399 -1.448782 -1.892206
H 4.370803 2.312969 1.820911
H 2.819628 2.813389 2.491200
H 3.916065 4.299759 0.437864
H 1.871473 4.412042 -1.010549
H 2.621548 -3.696975 0.109085
H 1.572714 -3.046762 -1.187034
H 3.061635 -3.967853 -1.607296
H 5.115406 0.210232 -2.063020
H 5.890358 -2.342225 -2.333864
H 1.228685 -1.822144 2.139870
H -5.804895 2.227200 -1.788228
H -5.571093 0.711026 -2.673399
H -2.834680 -2.942997 1.732420
H -4.909871 -2.147314 0.638909
H -7.699686 0.417427 -1.477332
H -7.024739 1.085689 0.023271


