%chk=000197033.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000197033

0 1
N -0.523277 0.012930 -0.541951
N -3.434670 3.034488 -0.254062
N 5.231838 -1.146318 0.032302
C -1.372783 1.126185 -0.372885
C -2.663293 0.690587 -0.095628
C -0.999562 2.557651 -0.503039
C -3.809726 1.617503 0.101626
C -2.644905 -0.746606 -0.048780
C -2.062680 3.408518 0.229373
C -1.290000 -1.154124 -0.311511
C 0.932909 0.050433 -0.732819
C -3.626010 -1.725192 0.185751
C -0.922956 -2.512031 -0.333517
C 1.675923 0.028194 0.619648
C -4.449677 3.979288 0.300607
C -3.259802 -3.065315 0.163570
C -1.912543 -3.449015 -0.094424
C 3.157102 0.065439 0.403412
C -4.272913 -4.139025 0.408568
C 3.857697 1.280849 0.349547
C 3.891317 -1.125908 0.239422
C 5.234805 1.276009 0.138993
C 5.900521 0.040430 -0.017912
C 7.374630 -0.017258 -0.245972
H 0.004551 2.773751 -0.095161
H -0.978938 2.837113 -1.580584
H -4.643939 1.337601 -0.585391
H -4.192696 1.515692 1.142661
H -1.942879 3.287761 1.327247
H -1.896451 4.481108 -0.006625
H 1.207361 0.962022 -1.310554
H 1.242231 -0.822079 -1.354714
H -4.650750 -1.420548 0.377292
H 0.100909 -2.809923 -0.533521
H 1.343949 0.879034 1.250054
H 1.381195 -0.875671 1.195486
H -4.225864 4.996974 -0.057740
H -4.515309 4.002770 1.398189
H -5.441615 3.713065 -0.100069
H -1.665030 -4.508819 -0.102948
H -5.273826 -3.737302 0.610015
H -4.362266 -4.805098 -0.461010
H -3.994520 -4.759730 1.271309
H 3.327699 2.224755 0.473670
H 3.400487 -2.105880 0.274625
H 5.793552 2.207166 0.096360
H 7.732467 -1.055290 -0.355143
H 7.660473 0.520599 -1.160474
H 7.927066 0.427114 0.593706


%chk=000197033-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000197033

0 1
N -0.539510 0.054914 -0.430732
N -3.472365 3.032829 -0.226731
N 5.302173 -1.189546 0.095602
C -1.402600 1.157375 -0.256869
C -2.695606 0.707375 -0.007032
C -1.013404 2.605170 -0.346730
C -3.850557 1.654652 0.188703
C -2.659112 -0.739203 -0.003120
C -2.147333 3.446672 0.292983
C -1.294412 -1.120990 -0.264924
C 0.909206 0.110989 -0.630181
C -3.635233 -1.753274 0.185859
C -0.903429 -2.475241 -0.331628
C 1.712574 0.024267 0.706165
C -4.536941 4.004566 0.079020
C -3.263090 -3.113393 0.119967
C -1.897192 -3.455670 -0.138008
C 3.208797 0.054901 0.463530
C -4.289716 -4.218047 0.317610
C 3.919537 1.271005 0.288044
C 3.963226 -1.140233 0.355891
C 5.302751 1.242338 0.020892
C 5.974019 -0.007027 -0.074609
C 7.459294 -0.092153 -0.360285
H -0.061164 2.815708 0.182327
H -0.881367 2.915196 -1.402803
H -4.722011 1.340718 -0.419752
H -4.186649 1.634323 1.261236
H -2.088359 3.348908 1.408671
H -2.000045 4.514021 0.045899
H 1.163976 1.050009 -1.153514
H 1.214632 -0.718419 -1.294385
H -4.680337 -1.484848 0.383250
H 0.133197 -2.769136 -0.531717
H 1.405163 0.866611 1.354469
H 1.424704 -0.907734 1.226869
H -4.272650 4.994201 -0.334590
H -4.730373 4.125836 1.176075
H -5.480655 3.678785 -0.394977
H -1.618856 -4.515842 -0.187316
H -5.295028 -3.804471 0.510015
H -4.360617 -4.868886 -0.574894
H -4.025602 -4.868715 1.173202
H 3.394042 2.230635 0.371621
H 3.473262 -2.113531 0.494071
H 5.867030 2.172024 -0.110180
H 7.765251 -1.148964 -0.396544
H 7.711987 0.384498 -1.325929
H 8.049195 0.420693 0.422476


