%chk=000214574.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000214574

0 1
S 3.719587 1.403454 -1.610155
N -4.429131 -1.286436 0.125294
N -1.546565 -1.345555 -0.240006
N 2.105588 -0.104713 0.569750
C -3.640459 -0.016741 -0.066340
C -2.397897 -0.327738 -0.939044
C -4.516457 1.035199 -0.779348
C -3.572580 -2.316101 0.804424
C -5.667013 -1.040519 0.939503
C -5.798308 1.309822 0.014941
C -2.332330 -2.610386 -0.061447
C -6.559598 -0.001275 0.242802
C -0.280472 -1.594027 -1.006868
C 0.797272 -2.158989 -0.066652
C 1.178442 -1.173132 1.048493
C 1.546081 1.101916 0.063317
C 3.484383 -0.431990 0.438061
C 2.234074 1.924577 -0.850173
C 4.337654 0.242862 -0.457912
C 0.280630 1.537299 0.523717
C 4.048325 -1.431352 1.265344
C 1.721345 3.159855 -1.246730
C 5.703299 -0.032531 -0.509564
C -0.237618 2.761024 0.108898
C 5.410537 -1.717933 1.195411
C 0.479390 3.583340 -0.768194
C 6.245521 -1.021881 0.315449
H -3.293610 0.398696 0.915759
H -2.720637 -0.657200 -1.950088
H -1.798484 0.599967 -1.066346
H -4.781748 0.672983 -1.792920
H -3.942175 1.967922 -0.920422
H -4.170710 -3.246125 0.911406
H -3.251729 -2.008066 1.823570
H -5.441600 -0.709528 1.976386
H -6.213716 -2.005588 1.016230
H -6.435284 2.031277 -0.529583
H -5.555320 1.785206 0.983892
H -1.689452 -3.353952 0.454687
H -2.650688 -3.060384 -1.027633
H -7.467571 0.175546 0.846675
H -6.903075 -0.406402 -0.730574
H -0.421149 -2.279971 -1.869334
H 0.080363 -0.629587 -1.432707
H 0.441902 -3.100739 0.396178
H 1.691690 -2.430449 -0.662904
H 1.659425 -1.715220 1.895013
H 0.252981 -0.701934 1.468337
H -0.300181 0.901591 1.198792
H 3.420225 -1.974573 1.971026
H 2.283800 3.793577 -1.935189
H 6.350461 0.516386 -1.196692
H -1.211824 3.082275 0.477638
H 5.828360 -2.491424 1.840066
H 0.073518 4.543155 -1.075797
H 7.307926 -1.246491 0.272964


%chk=000214574-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000214574

0 1
S 2.621830 1.354242 -1.934622
N -4.299272 -1.226909 0.000987
N -1.436245 -1.672702 -0.129648
N 1.835579 -0.137481 0.626421
C -3.375907 -0.132558 -0.420211
C -2.112089 -0.738865 -1.061378
C -4.083786 0.819036 -1.409353
C -3.618949 -2.174954 0.916580
C -5.554244 -0.710141 0.602973
C -5.399970 1.374198 -0.823209
C -2.359724 -2.761822 0.262214
C -6.309719 0.209509 -0.374659
C -0.116625 -2.155572 -0.604341
C 0.847512 -2.447301 0.569542
C 1.106724 -1.170601 1.402770
C 1.324492 1.195835 0.562552
C 3.166225 -0.413676 0.187437
C 1.645947 2.040801 -0.537416
C 3.712027 0.255618 -0.944096
C 0.499239 1.733584 1.588778
C 3.993630 -1.352466 0.863628
C 1.172268 3.365346 -0.610397
C 5.036647 0.027426 -1.364084
C -0.010950 3.046492 1.496284
C 5.308669 -1.611192 0.420694
C 0.322401 3.872137 0.399595
C 5.841678 -0.920210 -0.689832
H -3.049054 0.458526 0.477752
H -2.412009 -1.246203 -2.013696
H -1.410687 0.078735 -1.310221
H -4.303335 0.260012 -2.341052
H -3.393431 1.645124 -1.668834
H -4.324259 -2.992070 1.162282
H -3.322089 -1.675369 1.875383
H -5.343405 -0.140355 1.548510
H -6.184078 -1.577916 0.878516
H -5.916597 2.008235 -1.568654
H -5.173345 2.020850 0.049974
H -1.852555 -3.431037 0.982025
H -2.661962 -3.376252 -0.623809
H -7.227331 0.592429 0.112271
H -6.618538 -0.382288 -1.258145
H -0.213431 -3.066784 -1.243486
H 0.335228 -1.366904 -1.234627
H 0.414157 -3.213296 1.243056
H 1.791624 -2.864415 0.172004
H 1.626607 -1.411094 2.352700
H 0.112147 -0.766615 1.649909
H 0.263594 1.130098 2.469987
H 3.610875 -1.880685 1.741461
H 1.455819 3.990164 -1.464159
H 5.427998 0.575834 -2.227570
H -0.654634 3.428303 2.296391
H 5.919165 -2.347390 0.955170
H -0.062538 4.894644 0.331287
H 6.864076 -1.113056 -1.030231


