%chk=000194828.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000194828

0 1
O 2.574789 1.007062 0.413308
O 4.355340 -3.319818 -0.464750
O 1.201575 5.553802 0.681792
O -2.006738 -1.927973 -1.916824
N -3.828204 -0.627428 -1.552861
N -4.345334 -0.777916 -2.865114
C -0.126931 0.151255 -0.417956
C 1.081934 -0.750640 -0.448657
C 0.247378 1.585815 -0.140745
C -1.094451 -0.356639 0.643774
C 2.337210 -0.298788 -0.023225
C 1.546780 1.931705 0.262108
C -2.291899 -1.005441 0.301086
C 0.978095 -2.079823 -0.900413
C -0.697507 2.618449 -0.267031
C -0.779975 -0.189221 2.003818
C 3.479642 -1.107972 0.000568
C 1.933005 3.245787 0.556350
C 2.082345 -2.924340 -0.900085
C -0.363914 3.940063 0.010143
C 3.317770 -2.426151 -0.442277
C 0.950737 4.233347 0.422390
C -3.156112 -1.479724 1.302176
C -1.640243 -0.657380 2.995480
C -2.651236 -1.253406 -1.125799
C -2.832892 -1.305118 2.646285
H -0.608059 0.109942 -1.435430
H 0.004177 -2.447186 -1.258714
H -1.713971 2.375776 -0.583983
H 0.151925 0.308328 2.278876
H 4.428026 -0.710750 0.342095
H 2.949935 3.461249 0.864670
H 2.013035 -3.953889 -1.244510
H -1.087905 4.746024 -0.083311
H -4.075877 -1.996560 1.026241
H -1.383313 -0.522966 4.046586
H -3.500679 -1.674670 3.422692
H -4.426955 -0.058679 -0.953437
H 5.201778 -2.921923 -0.139952
H 2.139299 5.711569 0.960356
H -3.654580 -0.429386 -3.546799
H -4.457002 -1.780289 -3.080621


%chk=000194828-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000194828

0 1
O 2.570356 0.967661 0.623170
O 4.510449 -3.363314 -0.417346
O 1.270987 5.645642 0.722262
O -2.007271 -1.605232 -2.100448
N -4.090758 -0.817500 -1.459136
N -4.681504 -1.005428 -2.737161
C -0.076987 0.151292 -0.462085
C 1.161663 -0.748876 -0.489022
C 0.313274 1.602487 -0.182597
C -1.088608 -0.358163 0.592178
C 2.387411 -0.328779 0.073029
C 1.575533 1.937747 0.358320
C -2.347190 -0.934660 0.247340
C 1.110980 -2.053523 -1.042483
C -0.590739 2.668098 -0.417643
C -0.762056 -0.231819 1.966361
C 3.523716 -1.162750 0.119901
C 1.933962 3.265674 0.674029
C 2.225670 -2.910809 -1.016020
C -0.269720 4.004084 -0.117736
C 3.430340 -2.462061 -0.423073
C 0.999996 4.296103 0.436880
C -3.230450 -1.372599 1.274804
C -1.638218 -0.669848 2.978928
C -2.765125 -1.147940 -1.184679
C -2.882070 -1.247263 2.633489
H -0.559044 0.092154 -1.452574
H 0.169499 -2.383006 -1.496075
H -1.577314 2.436963 -0.836806
H 0.195123 0.224491 2.242409
H 4.449213 -0.778004 0.562910
H 2.930599 3.462676 1.084883
H 2.184684 -3.917441 -1.440534
H -0.972575 4.821385 -0.298861
H -4.177070 -1.854002 1.002928
H -1.353144 -0.566017 4.031602
H -3.565166 -1.603812 3.411675
H -4.677870 -0.356779 -0.762147
H 5.303319 -2.961727 0.016936
H 2.178465 5.752227 1.101291
H -4.156291 -0.484055 -3.454413
H -4.705071 -2.007179 -2.976186


