%chk=000206521.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000206521

0 1
O 1.723955 -2.445071 -1.267118
N 1.996425 -0.403354 -0.286659
N 0.231389 2.890253 0.224725
N -1.115484 -0.909120 -0.718420
C 1.438780 0.776317 0.417878
C 0.837421 1.788404 -0.586177
C 3.402933 -0.310490 -0.769980
C 4.389466 -0.650102 0.358763
C 0.458877 4.233308 -0.382414
C -1.213867 2.616334 0.520833
C 5.838976 -0.531830 -0.129500
C 1.246504 -1.523493 -0.623633
C -0.160833 4.467704 -1.763010
C -1.670279 3.447305 1.720960
C -0.173933 -1.605218 -0.091282
C 6.833307 -0.861867 0.981125
C -0.429096 -2.478678 1.018311
C -2.428660 -1.037225 -0.272224
C -2.768970 -1.875974 0.827354
C -1.718164 -2.605711 1.468095
C -3.452669 -0.294641 -0.947311
C -4.135029 -1.955855 1.238517
C -4.753181 -0.397046 -0.525007
C -5.098205 -1.234093 0.578667
H 0.669031 0.453779 1.153388
H 2.242103 1.265187 1.013730
H 0.110527 1.280145 -1.258648
H 1.639028 2.179608 -1.246045
H 3.538500 -1.021995 -1.622138
H 3.588222 0.710842 -1.165235
H 4.195854 -1.678167 0.725439
H 4.225424 0.013221 1.228891
H 0.070190 4.989816 0.336408
H 1.559569 4.391751 -0.429945
H -1.874302 2.809997 -0.352241
H -1.322970 1.534193 0.760385
H 6.029951 0.490952 -0.509347
H 6.002688 -1.212018 -0.989560
H 0.219497 3.761526 -2.508832
H -1.251293 4.359887 -1.740176
H 0.059795 5.477132 -2.126051
H -0.962497 3.354269 2.555417
H -1.742712 4.512901 1.477846
H -2.652019 3.116512 2.074627
H 6.696923 -1.884060 1.353532
H 7.866307 -0.779391 0.624442
H 6.725882 -0.184793 1.836046
H 0.398261 -3.028709 1.464675
H -1.962219 -3.258698 2.306712
H -3.164882 0.332599 -1.792395
H -4.392038 -2.599330 2.079223
H -5.546745 0.157100 -1.026669
H -6.142938 -1.289014 0.883330


%chk=000206521-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000206521

0 1
O 1.954152 -2.614176 -0.715929
N 1.870480 -0.349785 -0.205990
N 0.322650 3.135012 0.004338
N -1.085253 -0.843164 -0.069304
C 1.284078 0.865886 0.404957
C 0.766784 1.879423 -0.648767
C 3.288546 -0.241937 -0.638896
C 4.286882 -0.623724 0.478758
C 0.669111 4.369659 -0.742041
C -1.073253 3.062375 0.502324
C 5.754863 -0.460369 0.025273
C 1.286632 -1.599277 -0.305231
C -0.079712 4.596396 -2.085054
C -1.423303 4.170283 1.512940
C -0.168587 -1.825932 0.067520
C 6.762798 -0.841098 1.131174
C -0.511353 -3.164989 0.468038
C -2.417676 -1.145149 0.189105
C -2.846910 -2.462111 0.615237
C -1.838598 -3.473090 0.751203
C -3.395017 -0.111621 0.024044
C -4.235601 -2.696728 0.870279
C -4.744478 -0.369934 0.278162
C -5.168180 -1.669083 0.705896
H 0.463249 0.582035 1.079217
H 2.066647 1.362439 1.009651
H -0.038437 1.384878 -1.235106
H 1.590238 2.119228 -1.348565
H 3.435950 -0.911944 -1.503586
H 3.464241 0.800794 -0.965685
H 4.100286 -1.673940 0.771022
H 4.103828 0.005800 1.373608
H 0.496815 5.237208 -0.078180
H 1.759046 4.342668 -0.934892
H -1.817503 3.078155 -0.336285
H -1.192659 2.080126 0.994968
H 5.931236 0.588926 -0.290340
H 5.931775 -1.091153 -0.869292
H 0.090852 3.758450 -2.785902
H -1.169723 4.696743 -1.931824
H 0.278469 5.523842 -2.569952
H -0.690063 4.179644 2.338894
H -1.432951 5.172943 1.048386
H -2.428701 3.992562 1.937574
H 6.627427 -1.893701 1.442671
H 7.806266 -0.721652 0.786042
H 6.627725 -0.206132 2.027152
H 0.290018 -3.905574 0.518543
H -2.124808 -4.482314 1.069240
H -3.049589 0.871932 -0.308815
H -4.557454 -3.694460 1.192469
H -5.488179 0.424077 0.149291
H -6.230256 -1.853349 0.900963


