%chk=000186224.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000186224

0 1
N 0.505038 0.644176 0.001113
C -3.125189 0.242909 -0.008903
C -3.284148 -1.198893 -0.008704
C -4.763221 -1.496482 -0.012873
C -5.480269 -0.106575 -0.015220
C -4.374874 0.919179 -0.012663
C -1.896272 0.896963 -0.005728
C -0.862078 -1.395212 -0.001657
C -0.708350 0.036455 -0.001972
C -2.190979 -1.994541 -0.005141
C 0.310948 -2.182638 0.002070
C 1.574568 -1.550438 0.005203
C -4.385533 2.297484 -0.013306
C -1.924590 2.315362 -0.006432
C 1.630990 -0.120522 0.004634
C -3.141054 2.983151 -0.010135
C 2.927484 0.562931 0.007920
C 0.207225 -3.673932 0.002697
C 2.822903 -2.287202 0.009016
C 4.110831 -0.210314 0.011606
C 4.021891 -1.658473 0.012062
C 3.021909 1.976616 0.007485
C 5.369694 0.440553 0.014795
C 4.260105 2.595881 0.010631
C 5.440872 1.822881 0.014301
H -5.053316 -2.088463 0.872724
H -5.048153 -2.088717 -0.900006
H -6.126896 0.004173 -0.903064
H -6.131427 0.004778 0.869257
H -2.272113 -3.077525 -0.004835
H -5.312194 2.863693 -0.016128
H -0.980256 2.861784 -0.004040
H -3.154374 4.073131 -0.010657
H 1.187775 -4.174736 0.005539
H -0.330198 -4.035570 -0.887004
H -0.334813 -4.034452 0.890055
H 2.759329 -3.378893 0.009315
H 4.955043 -2.220835 0.014944
H 2.102176 2.568360 0.004630
H 6.278631 -0.157953 0.017631
H 4.331537 3.681956 0.010302
H 6.407545 2.324649 0.016738


%chk=000186224-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000186224

0 1
N 0.519817 0.645440 0.001224
C -3.148866 0.237266 -0.008880
C -3.312964 -1.191317 -0.008683
C -4.808651 -1.505694 -0.012925
C -5.527833 -0.100615 -0.015363
C -4.391921 0.921927 -0.012692
C -1.889950 0.888110 -0.005633
C -0.861981 -1.412363 -0.001629
C -0.699799 0.037258 -0.001885
C -2.194889 -2.002733 -0.005112
C 0.318754 -2.221792 0.002093
C 1.597026 -1.578799 0.005361
C -4.386183 2.323666 -0.013331
C -1.898513 2.313517 -0.006322
C 1.645282 -0.125742 0.004752
C -3.126489 3.005470 -0.010107
C 2.938467 0.565099 0.007980
C 0.174103 -3.733200 0.002439
C 2.855240 -2.302753 0.009257
C 4.152412 -0.203112 0.011767
C 4.071000 -1.647831 0.012311
C 3.018170 1.988005 0.007418
C 5.410780 0.471958 0.014897
C 4.263677 2.633805 0.010518
C 5.469160 1.872750 0.014290
H -5.096559 -2.101891 0.873094
H -5.091341 -2.102236 -0.900395
H -6.175527 0.017538 -0.904214
H -6.180205 0.018172 0.869978
H -2.295041 -3.092604 -0.004880
H -5.317614 2.901760 -0.016219
H -0.945051 2.849047 -0.003863
H -3.121225 4.101730 -0.010604
H 1.140296 -4.256638 0.005351
H -0.384559 -4.076617 -0.888735
H -0.389459 -4.075755 0.890862
H 2.846451 -3.396322 0.009800
H 5.005402 -2.222245 0.015234
H 2.080973 2.551125 0.004492
H 6.332780 -0.121992 0.017791
H 4.313114 3.728440 0.010050
H 6.437911 2.384867 0.016713


