%chk=000274980.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000274980

0 1
O -3.494640 -0.500463 -0.133377
O 3.495042 -0.505576 -0.134387
N -3.735072 -2.276936 1.268668
N 3.733265 -2.283469 1.266233
C -6.854601 0.809809 -0.017417
C 6.857047 0.799323 -0.019058
C -5.759543 0.153385 -0.682649
C 5.760732 0.144999 -0.684287
C -7.730099 1.616243 -0.792932
C 7.733432 1.604983 -0.794380
C -4.868516 -0.728798 0.055200
C 4.868641 -0.736295 0.053342
C -1.397420 -1.486509 0.643822
C 1.396599 -1.488774 0.643128
C -5.549064 0.340087 -2.035034
C 5.550006 0.332901 -2.036468
C -2.854055 -1.494779 0.650827
C 2.853222 -1.499414 0.649403
C -7.088961 0.696469 1.390158
C 7.091830 0.684647 1.388339
C -7.493522 1.776765 -2.194880
C 7.496544 1.766781 -2.196129
C -8.836394 2.265085 -0.155674
C 8.840934 2.251762 -0.157125
C -6.425064 1.160563 -2.796489
C 6.426942 1.152558 -2.797728
C -0.696282 -0.489788 -0.058261
C 0.696729 -0.490918 -0.058608
C -0.698375 -2.482865 1.347378
C 0.696288 -2.483996 1.347033
C -5.011330 -1.809583 0.902642
C 5.010103 -1.817932 0.899920
C -8.153870 1.333542 1.976006
C 8.157925 1.319736 1.974188
C -9.044560 2.123943 1.192651
C 9.049446 2.109380 1.191017
H -4.709200 -0.144832 -2.535726
H 4.709216 -0.150421 -2.537147
H -6.400899 0.105724 1.995880
H 6.403154 0.094487 1.993934
H -8.176282 2.400266 -2.772021
H 8.180002 2.389652 -2.773126
H -9.505318 2.872376 -0.764258
H 9.510497 2.858501 -0.765559
H -6.232476 1.284196 -3.861755
H 6.234136 1.277161 -3.862842
H -1.248258 0.282657 -0.598698
H 1.249688 0.280635 -0.599313
H -1.251378 -3.253280 1.893402
H 1.248312 -3.255313 1.892773
H -5.904440 -2.291086 1.266591
H 5.902606 -2.301166 1.263066
H -8.333345 1.248676 3.047417
H 8.337728 1.233838 3.045462
H -9.884048 2.612646 1.685195
H 9.889846 2.596520 1.683553


%chk=000274980-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000274980

0 1
O -3.577612 -0.176715 -0.006467
O 3.578590 -0.182354 -0.007443
N -3.703766 -1.849069 1.550794
N 3.702511 -1.854410 1.550323
C -7.264594 0.631910 -0.073261
C 7.266705 0.620869 -0.075072
C -5.919652 0.347896 -0.541228
C 5.921329 0.338526 -0.542805
C -8.180783 1.313813 -0.970136
C 8.183797 1.301009 -0.972362
C -4.957700 -0.417098 0.252402
C 4.958359 -0.424722 0.251271
C -1.420650 -1.073674 0.803661
C 1.420429 -1.075821 0.803363
C -5.520305 0.801612 -1.815206
C 5.522527 0.792167 -1.816978
C -2.874510 -1.087704 0.828063
C 2.874271 -1.092033 0.827493
C -7.730745 0.306729 1.244216
C 7.732469 0.295744 1.242556
C -7.734669 1.730091 -2.266704
C 7.738181 1.717248 -2.269114
C -9.521906 1.582760 -0.537645
C 9.525323 1.568296 -0.540091
C -6.419799 1.494335 -2.672017
C 6.422944 1.483168 -2.674210
C -0.701561 -0.163492 -0.020972
C 0.702546 -0.164560 -0.021127
C -0.701364 -1.986853 1.628124
C 0.699936 -1.987906 1.627983
C -4.999676 -1.441319 1.200616
C 4.998971 -1.448690 1.199815
C -9.039797 0.592649 1.641459
C 9.041940 0.580048 1.639578
C -9.952341 1.221502 0.739186
C 9.955318 1.207126 0.736914
H -4.501993 0.591956 -2.155576
H 4.503889 0.583786 -2.157159
H -7.041292 -0.137686 1.966357
H 7.042426 -0.147323 1.964965
H -8.440689 2.241621 -2.931204
H 8.444878 2.227437 -2.933927
H -10.203866 2.089691 -1.230611
H 10.207955 2.073904 -1.233364
H -6.076455 1.823324 -3.658272
H 6.079998 1.812146 -3.660607
H -1.252150 0.542015 -0.650357
H 1.254076 0.540108 -0.650627
H -1.264629 -2.682146 2.258080
H 1.262280 -2.684037 2.257836
H -5.868435 -1.942011 1.616732
H 5.867058 -1.950538 1.615944
H -9.366924 0.343358 2.656784
H 9.368769 0.330854 2.655023
H -10.978029 1.433103 1.059672
H 10.981318 1.417466 1.057231


