%chk=000186225.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000186225

0 1
N 0.000006 -0.782393 -0.011379
C -3.595377 -0.134897 -0.000900
C 3.595389 -0.134905 -0.001005
C -3.654638 1.314238 -0.001887
C 3.654650 1.314229 -0.001906
C -5.109638 1.713225 0.004311
C 5.109651 1.713213 0.004321
C -1.223552 1.343491 -0.012654
C 1.223568 1.343490 -0.012666
C -4.888588 -0.723609 0.005002
C 4.888598 -0.723621 0.004827
C -2.413983 -0.871492 -0.006384
C -5.920731 0.375990 0.009331
C 2.413993 -0.871497 -0.006491
C 5.920743 0.375977 0.009168
C -1.170299 -0.094513 -0.011242
C 1.170313 -0.094513 -0.011282
C 0.000006 2.051489 -0.016629
C -2.508790 2.031553 -0.008207
C 2.508805 2.031555 -0.008182
C -4.994156 -2.097824 0.005504
C 4.994164 -2.097835 0.005261
C -2.539980 -2.284687 -0.005876
C 2.539986 -2.284693 -0.006056
C 0.000043 3.547376 -0.003386
C -3.799420 -2.867138 -0.000043
C 3.799425 -2.867146 -0.000288
H -5.351371 2.324669 0.891195
H -5.359508 2.322821 -0.881597
H 5.359520 2.322931 -0.881501
H 5.351387 2.324536 0.891291
H -6.571134 0.310453 0.898877
H -6.580064 0.309192 -0.873504
H 6.571229 0.310368 0.898646
H 6.579995 0.309250 -0.873736
H -2.508420 3.119240 -0.011475
H 2.508477 3.119231 -0.011369
H -5.957292 -2.599058 0.009910
H 5.957299 -2.599072 0.009614
H -1.635347 -2.894593 -0.010100
H 1.635352 -2.894596 -0.010284
H 0.001060 3.921835 1.032075
H 0.881042 3.972471 -0.506378
H -0.881915 3.972560 -0.504633
H -3.887537 -3.953596 0.000303
H 3.887540 -3.953604 0.000005


%chk=000186225-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000186225

0 1
N -0.000045 -0.783536 -0.041128
C -3.631371 -0.132898 0.001353
C 3.631306 -0.132880 0.001285
C -3.698845 1.302285 0.017210
C 3.698754 1.302310 0.017139
C -5.170292 1.716198 0.052668
C 5.170192 1.716254 0.052557
C -1.236039 1.367632 -0.032729
C 1.235981 1.367557 -0.032706
C -4.916435 -0.733793 0.019115
C 4.916386 -0.733744 0.018994
C -2.417700 -0.863266 -0.022430
C -5.981672 0.362017 0.049647
C 2.417651 -0.863288 -0.022455
C 5.981600 0.362090 0.049454
C -1.174809 -0.092317 -0.033399
C 1.174746 -0.092362 -0.033387
C 0.000007 2.091594 -0.058081
C -2.530818 2.039285 0.000750
C 2.530704 2.039279 0.000709
C -5.002795 -2.132614 0.009106
C 5.002780 -2.132563 0.008991
C -2.519701 -2.285077 -0.031103
C 2.519688 -2.285096 -0.031130
C 0.000331 3.610778 -0.092660
C -3.790431 -2.894882 -0.016672
C 3.790436 -2.894865 -0.016740
H -5.397971 2.317136 0.952854
H -5.432951 2.342112 -0.820539
H 5.432810 2.342220 -0.820624
H 5.397886 2.317151 0.952768
H -6.623266 0.276608 0.946681
H -6.652859 0.298433 -0.827316
H 6.623282 0.276685 0.946424
H 6.652704 0.298532 -0.827576
H -2.568687 3.132298 0.027318
H 2.568462 3.132307 0.027239
H -5.969843 -2.648578 0.021616
H 5.969842 -2.648501 0.021462
H -1.603201 -2.881466 -0.048920
H 1.603204 -2.881510 -0.048914
H 0.001644 4.034205 0.931219
H 0.884159 4.008015 -0.616228
H -0.884356 4.008610 -0.614253
H -3.856585 -3.989134 -0.024451
H 3.856620 -3.989115 -0.024519


