%chk=000236974.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000236974

0 1
O 6.169029 -0.222793 2.294535
O -3.639437 0.072384 -0.139097
O 3.293655 -0.266213 -3.210198
O -2.151490 0.884603 1.347332
N 4.827193 0.532111 -0.107327
N 2.273219 0.512324 -1.291371
C 5.886067 1.410480 0.492246
C 5.120933 -0.909686 0.192402
C 5.915152 1.166640 2.010629
C 5.172560 -1.090652 1.717448
C 4.728301 0.753172 -1.581315
C 3.379514 0.260572 -2.116150
C -7.203761 -0.001916 0.989678
C -5.961354 -0.171121 0.108557
C -8.469524 -0.479474 0.263812
C -4.711866 0.306014 0.839031
C 0.915733 0.171960 -1.582019
C -9.712697 -0.314662 1.134483
C -0.043011 0.429544 -0.582584
C -1.386947 0.126692 -0.831013
C 0.519888 -0.386441 -2.813528
C -2.366674 0.415111 0.250869
C -1.786742 -0.427233 -2.052988
C -0.824804 -0.679848 -3.036504
H 6.894888 1.225587 0.063566
H 5.626003 2.470608 0.286619
H 4.306685 -1.532986 -0.236897
H 6.073980 -1.259961 -0.260526
H 4.968433 1.467692 2.493131
H 6.770429 1.669439 2.496059
H 5.534918 -2.093476 2.005939
H 4.196272 -0.885085 2.190737
H 4.808128 1.841705 -1.809912
H 5.532213 0.257024 -2.174382
H -7.320100 1.059511 1.284282
H -7.079999 -0.565873 1.934974
H -6.075726 0.389734 -0.841267
H -5.836207 -1.231133 -0.192276
H -8.597525 0.084205 -0.681350
H -8.357307 -1.541630 -0.030598
H 2.454581 0.900592 -0.354142
H -4.720538 1.382331 1.079584
H -4.475635 -0.277278 1.744771
H -9.636464 -0.891927 2.063106
H -9.876601 0.732778 1.412677
H -10.611504 -0.657749 0.609331
H 0.238865 0.860718 0.380972
H 1.266290 -0.590696 -3.591942
H -2.839616 -0.656629 -2.228109
H -1.128198 -1.111967 -3.991174


%chk=000236974-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000236974

0 1
O 5.419439 0.054243 2.645600
O -3.481409 -0.079587 -0.334233
O 3.614427 -0.097873 -3.603836
O -1.823755 0.433452 1.220954
N 4.726255 0.493690 -0.138043
N 2.479839 0.286010 -1.560856
C 5.553919 1.477643 0.615621
C 4.929099 -0.884022 0.401318
C 5.203193 1.408482 2.111428
C 4.595178 -0.911567 1.901675
C 4.894962 0.558035 -1.609132
C 3.597537 0.197691 -2.371735
C -7.009094 -0.069395 1.152394
C -5.868244 -0.179448 0.113472
C -8.407022 -0.287248 0.529334
C -4.498213 0.049215 0.751233
C 1.117760 0.066710 -1.883157
C -9.547383 -0.181523 1.564454
C 0.164981 0.198126 -0.843499
C -1.209413 -0.010090 -1.101560
C 0.684342 -0.276898 -3.194663
C -2.155378 0.141567 0.042808
C -1.645929 -0.352740 -2.407600
C -0.691158 -0.481594 -3.437756
H 6.643001 1.273638 0.485579
H 5.342494 2.493320 0.232059
H 4.268440 -1.584941 -0.142708
H 5.983607 -1.214858 0.249449
H 4.142515 1.706568 2.260515
H 5.858734 2.068204 2.702773
H 4.823724 -1.896473 2.339855
H 3.517646 -0.681170 2.051922
H 5.163092 1.591813 -1.899910
H 5.699898 -0.104359 -1.994104
H -6.978219 0.929092 1.636330
H -6.851301 -0.813195 1.961002
H -6.021621 0.563274 -0.693137
H -5.887146 -1.179698 -0.360810
H -8.565903 0.457437 -0.276804
H -8.437803 -1.283597 0.043411
H 2.745338 0.533687 -0.588182
H -4.406259 1.055615 1.200446
H -4.269558 -0.697842 1.534254
H -9.426939 -0.934876 2.365730
H -9.559674 0.816458 2.041917
H -10.534936 -0.343115 1.094950
H 0.468456 0.462912 0.176526
H 1.425683 -0.377345 -3.990513
H -2.710803 -0.510940 -2.594995
H -1.017196 -0.745387 -4.449674


