%chk=000298977.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000298977

0 1
N 3.584342 1.003308 0.784734
N -3.792897 1.523121 0.208396
N -0.026574 3.594314 -1.249882
C -0.020965 1.159849 -0.502764
C 1.199154 1.467954 0.401601
C -1.327236 1.370792 0.310864
C 0.044619 -0.291735 -1.004715
C -0.029204 2.168966 -1.697339
C 2.555203 1.229318 -0.286805
C -2.586310 0.905810 -0.438878
C 0.032425 -1.415910 -0.090916
C 0.114562 -0.554896 -2.357122
C 0.072178 -2.738534 -0.614040
C 0.160119 -1.879961 -2.874338
C 4.911601 1.578041 0.382972
C -4.148419 0.808751 1.481194
C -0.013677 -1.284499 1.334809
C 0.135308 -2.953488 -2.026954
C 3.694462 -0.449910 1.108218
C -4.943900 1.524556 -0.743600
C 0.052851 -3.865750 0.269773
C -0.028453 -2.374629 2.167569
C 5.857009 1.628806 1.584638
C -5.082179 1.676247 2.326776
C 0.002402 -3.691255 1.628675
H 1.158878 2.525355 0.737331
H 1.143839 0.875799 1.338901
H -1.433254 2.444666 0.578228
H -1.259612 0.850760 1.288044
H 0.894070 2.031401 -2.305288
H -0.897370 1.939499 -2.356185
H 2.814062 2.131104 -0.883765
H 2.494987 0.384924 -1.005295
H -2.624589 -0.204309 -0.473666
H -2.535936 1.247667 -1.496846
H 0.140398 0.245133 -3.096597
H -0.339708 4.189439 -2.011889
H -0.690003 3.728924 -0.485990
H 0.213838 -2.015693 -3.953651
H 4.731710 2.616238 0.021174
H 5.389300 1.022686 -0.452512
H -3.209412 0.624955 2.050209
H -4.608751 -0.186875 1.302545
H -0.028664 -0.275425 1.767507
H 0.165464 -3.973466 -2.404560
H 2.691750 -0.858900 1.316743
H 4.290077 -0.562471 2.027607
H 4.153576 -1.063445 0.319436
H -4.682642 2.132891 -1.623491
H -5.806919 2.012464 -0.261887
H -5.260460 0.529127 -1.087471
H 0.080468 -4.864709 -0.163343
H -0.061384 -2.249455 3.248576
H 5.348277 2.052075 2.461911
H 6.216399 0.634131 1.867367
H 6.729672 2.253384 1.369832
H -6.083528 1.749467 1.889375
H -5.186559 1.270104 3.337809
H -4.693117 2.700114 2.412781
H -0.012479 -4.542026 2.307197


%chk=000298977-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000298977

0 1
N 3.674248 1.151503 0.833651
N -3.858165 1.552765 0.184817
N -0.094085 3.491859 -1.020552
C -0.045657 1.021578 -0.395413
C 1.184458 1.313067 0.531811
C -1.357540 1.261719 0.436042
C 0.018543 -0.414868 -0.996898
C -0.039595 2.115820 -1.536762
C 2.565669 1.228242 -0.158419
C -2.655734 0.786562 -0.253034
C -0.015534 -1.629192 -0.182955
C 0.125606 -0.583138 -2.389994
C 0.070272 -2.930473 -0.834484
C 0.204120 -1.859661 -3.023784
C 4.948808 1.699682 0.302131
C -4.150393 1.352897 1.629903
C -0.131780 -1.644094 1.252758
C 0.179642 -3.020340 -2.259581
C 3.832767 -0.217199 1.372990
C -5.019972 1.230558 -0.673756
C 0.042861 -4.134650 -0.053844
C -0.158964 -2.831331 1.988423
C 6.030721 1.879254 1.383860
C -5.273368 2.263220 2.161165
C -0.068680 -4.097083 1.334804
H 1.054183 2.334864 0.931681
H 1.181515 0.626960 1.395283
H -1.428415 2.350644 0.618433
H -1.267512 0.797210 1.432629
H 0.887037 2.008831 -2.129388
H -0.883117 1.914181 -2.231326
H 2.726251 2.140542 -0.763952
H 2.592209 0.360767 -0.865604
H -2.790027 -0.313526 -0.090827
H -2.567380 0.930125 -1.347107
H 0.156702 0.289191 -3.045802
H 0.591219 4.143568 -1.400500
H -1.024888 3.895357 -0.911986
H 0.285722 -1.911480 -4.115291
H 4.721725 2.689810 -0.137587
H 5.359307 1.062124 -0.526650
H -3.225639 1.578059 2.190144
H -4.405398 0.279738 1.842635
H -0.208370 -0.705493 1.800351
H 0.242192 -4.009689 -2.728135
H 2.858487 -0.603359 1.716894
H 4.515291 -0.214648 2.239571
H 4.231717 -0.936605 0.612016
H -4.750258 1.401784 -1.731380
H -5.871560 1.889042 -0.434152
H -5.362242 0.168136 -0.573295
H 0.111116 -5.094778 -0.579956
H -0.250149 -2.788733 3.079629
H 5.628868 2.469538 2.226587
H 6.391869 0.912778 1.778179
H 6.903086 2.413460 0.964176
H -6.263415 1.994018 1.752539
H -5.337036 2.182407 3.261930
H -5.063971 3.316146 1.900369
H -0.088569 -5.022867 1.920015


