%chk=000185395.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000185395

0 1
O -2.892518 0.386296 0.668539
O -5.237121 -1.463788 -1.175012
O 1.308477 -1.237661 -2.101571
O 2.881882 -2.770002 -0.875940
N -0.092347 1.972819 4.015292
N -2.036558 0.141451 -2.364061
C -1.572024 1.235427 2.399368
C -0.284303 0.630090 2.130437
C -1.422822 2.057573 3.568416
C 0.620634 1.104661 3.142751
C -2.837142 1.185610 1.788355
C -3.926887 -0.890352 -1.003500
C -4.181266 0.247272 -0.002432
C -3.414564 -0.404374 -2.377470
C -2.490484 2.795879 4.109011
C 0.185081 -0.243826 1.150750
C -3.908390 1.916222 2.312699
C 1.963708 0.719697 3.172055
C -3.717587 2.705667 3.462581
C -0.994316 -0.901015 -2.132615
C 1.526778 -0.623198 1.174462
C 2.399838 -0.148746 2.169755
C 0.313535 -0.375721 -2.741651
C 2.605568 -1.143548 -2.545065
C 3.504138 -2.023372 -1.855340
C 3.083355 -0.312042 -3.549542
C 4.848901 -2.054461 -2.195990
C 4.451592 -0.352186 -3.883894
C 5.318492 -1.208852 -3.221099
C 3.708021 -3.695366 -0.128503
H -3.244223 -1.648724 -0.555481
H 0.294175 2.444712 4.808981
H -4.963771 -0.040591 0.725219
H -4.433756 1.208806 -0.477488
H -4.084677 0.395340 -2.772141
H -3.483663 -1.230643 -3.118061
H -2.359260 3.408546 4.992018
H -0.492964 -0.618128 0.375782
H -4.889289 1.889721 1.853413
H 2.640546 1.081744 3.937526
H -1.959592 0.867264 -1.635079
H -4.569585 3.265346 3.853607
H -0.825084 -1.129523 -1.045801
H -1.272675 -1.861307 -2.614375
H 1.906452 -1.295881 0.394994
H 3.441797 -0.464746 2.154159
H 0.352502 -0.506407 -3.834535
H 0.532261 0.669853 -2.466216
H -5.174840 -2.341845 -1.598663
H 2.424928 0.368767 -4.080910
H 5.544888 -2.715526 -1.689091
H 4.819742 0.301477 -4.672516
H 6.373740 -1.236575 -3.484919
H 4.127216 -4.455241 -0.793724
H 4.485779 -3.157138 0.419913
H 2.974881 -4.136858 0.559904


%chk=000185395-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000185395

0 1
O -2.965485 0.311773 0.785129
O -5.395576 -1.473553 -1.278377
O 1.353321 -1.669904 -2.178526
O 2.996259 -3.689638 -1.696793
N -0.246036 2.579675 3.854766
N -1.947642 0.007314 -2.084262
C -1.683565 1.501424 2.422806
C -0.337719 1.006449 2.171880
C -1.594794 2.469214 3.479278
C 0.535434 1.705939 3.077790
C -2.954172 1.228869 1.853966
C -4.030804 -1.007340 -0.955401
C -4.275617 -0.041214 0.211276
C -3.373917 -0.335461 -2.199398
C -2.727176 3.141111 3.991597
C 0.208219 0.038884 1.294618
C -4.101553 1.882430 2.359082
C 1.926356 1.473770 3.104242
C -3.974576 2.823969 3.417791
C -0.989608 -1.115874 -2.104156
C 1.598990 -0.200096 1.314044
C 2.446622 0.514899 2.206166
C 0.408326 -0.565291 -2.415534
C 2.710535 -1.417462 -2.411153
C 3.600997 -2.510269 -2.154647
C 3.233721 -0.185485 -2.862062
C 4.987698 -2.344073 -2.364678
C 4.626465 -0.029624 -3.068773
C 5.500403 -1.104937 -2.822799
C 3.877607 -4.824136 -1.417776
H -3.401128 -1.852308 -0.603905
H 0.108065 3.194621 4.583356
H -4.905275 -0.534539 0.976303
H -4.794598 0.867253 -0.156082
H -3.951594 0.579757 -2.436824
H -3.487852 -1.019635 -3.066539
H -2.647742 3.874279 4.800286
H -0.449384 -0.529336 0.632452
H -5.093220 1.678880 1.947255
H 2.585298 2.011787 3.794756
H -1.776246 0.641757 -1.292818
H -4.878522 3.317920 3.791012
H -0.931936 -1.701466 -1.157743
H -1.290025 -1.823632 -2.899091
H 2.029007 -0.948461 0.639564
H 3.523783 0.314041 2.199833
H 0.464414 -0.219372 -3.465856
H 0.651275 0.284174 -1.743638
H -5.357256 -2.060097 -2.075244
H 2.563663 0.657936 -3.051758
H 5.675725 -3.173057 -2.173136
H 5.015162 0.932292 -3.419064
H 6.578045 -0.991732 -2.981448
H 4.415222 -5.153394 -2.328913
H 4.611302 -4.581074 -0.623854
H 3.208300 -5.625360 -1.071700


