%chk=000291377.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000291377

0 1
O -0.001479 -2.641102 0.088486
N 7.589201 1.227522 -0.286580
N -7.585118 1.254464 0.285532
C 6.319347 0.615308 -0.115056
C -6.316533 0.632353 0.142347
C 3.753839 -0.596930 -0.046227
C -3.753179 -0.586286 0.129316
C 5.148390 1.402208 0.008665
C -5.144440 1.410224 -0.021235
C 6.180423 -0.793217 -0.195606
C -6.179871 -0.770797 0.291361
C 3.895539 0.800422 0.036265
C -3.892638 0.805617 -0.021103
C 4.921346 -1.378181 -0.164595
C -4.921824 -1.358789 0.287210
C 7.742294 2.620106 0.215579
C 8.787092 0.396537 0.012530
C -7.736532 2.621052 -0.284051
C -8.784795 0.411903 0.028954
C 2.450993 -1.257641 -0.011232
C -2.451492 -1.250196 0.124858
C 1.258219 -0.637256 0.024414
C -1.257675 -0.634244 0.059664
C -0.000407 -1.419500 0.060186
H 5.216921 2.485695 0.069234
H -5.211217 2.489577 -0.134553
H 7.058024 -1.427651 -0.296397
H -7.058377 -1.398034 0.424194
H 3.005579 1.426095 0.128167
H -3.001763 1.424495 -0.144669
H 4.836991 -2.464638 -0.232154
H -4.839205 -2.440801 0.407580
H 7.659645 2.706085 1.310528
H 8.722960 3.017467 -0.094101
H 6.975390 3.267288 -0.246550
H 8.877476 0.118420 1.074417
H 8.757314 -0.528221 -0.591355
H 9.697493 0.942192 -0.285665
H -8.716407 3.034561 0.006380
H -6.968387 3.288884 0.145491
H -7.654443 2.653283 -1.381935
H -8.755971 -0.481942 0.677759
H -9.693939 0.973230 0.300709
H -8.876791 0.081854 -1.017814
H 2.477647 -2.359599 -0.016633
H -2.480052 -2.350634 0.182018
H 1.160537 0.444924 0.028151
H -1.158125 0.446394 0.005114


%chk=000291377-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000291377

0 1
O -0.001398 -2.604591 0.095042
N 7.760242 1.138684 0.004395
N -7.756718 1.151379 -0.009231
C 6.475730 0.592069 0.018738
C -6.473137 0.602618 0.006294
C 3.807557 -0.531751 0.047504
C -3.806858 -0.525548 0.039677
C 5.310437 1.431231 0.001896
C -5.306440 1.439783 -0.012561
C 6.267776 -0.825271 0.050930
C -6.267568 -0.814986 0.041855
C 4.023621 0.879267 0.015859
C -4.020551 0.885731 0.003876
C 4.970369 -1.357933 0.064593
C -4.971054 -1.349760 0.057804
C 7.942653 2.595846 -0.025130
C 8.935304 0.257293 0.023221
C -7.936615 2.608715 -0.044110
C -8.933291 0.271972 0.007735
C 2.486750 -1.151242 0.062064
C -2.487096 -1.147183 0.057267
C 1.258143 -0.535339 0.048817
C -1.257462 -0.533298 0.045827
C -0.000319 -1.320335 0.065648
H 5.417486 2.519416 -0.022029
H -5.411662 2.528052 -0.040488
H 7.120835 -1.508997 0.065424
H -7.121771 -1.497270 0.056969
H 3.162498 1.557078 0.002005
H -3.158301 1.562066 -0.011890
H 4.842116 -2.447389 0.089143
H -4.844624 -2.439367 0.084964
H 7.493328 3.085460 0.862666
H 9.018623 2.830319 -0.031698
H 7.490620 3.049230 -0.930514
H 8.961817 -0.373304 0.935097
H 8.957502 -0.415926 -0.857611
H 9.851800 0.867598 0.006372
H -9.012179 2.845092 -0.049008
H -7.484642 3.100513 0.841015
H -7.485584 3.058265 -0.952029
H -8.961159 -0.359300 0.919016
H -9.848731 0.883862 -0.008906
H -8.956363 -0.400535 -0.873717
H 2.456373 -2.251610 0.086090
H -2.458571 -2.247572 0.082586
H 1.165005 0.558796 0.024788
H -1.162493 0.560672 0.021342


