%chk=000112128.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000112128

0 1
N 1.800466 -0.363475 -0.506909
N -2.043340 3.014640 -0.800325
N 6.048913 1.380084 1.033859
C -1.810969 -1.666282 -0.006764
C -2.547392 -0.514860 0.728336
C -0.520047 -1.186781 -0.720274
C -2.917174 0.692317 -0.159460
C -2.745241 -2.281322 -1.069920
C -1.460728 -2.755532 1.027617
C 0.495473 -0.511254 0.211233
C -2.033003 1.914717 0.197178
C -4.403098 1.043333 -0.017941
C 2.790468 0.414598 0.296048
C 4.172658 0.232378 -0.365503
C 5.215556 0.872548 0.414384
H -1.940905 -0.186010 1.592409
H -3.465062 -0.934404 1.186933
H -0.037260 -2.059668 -1.208463
H -0.788890 -0.498289 -1.543472
H -2.729945 0.423845 -1.229694
H -3.661049 -2.673020 -0.615273
H -2.264626 -3.111653 -1.596990
H -3.047392 -1.543499 -1.820305
H -2.355739 -3.150072 1.518346
H -0.949727 -3.601827 0.555277
H -0.795229 -2.375814 1.809945
H 0.085938 0.467868 0.570772
H 0.672324 -1.142747 1.110650
H -2.332682 2.334524 1.181502
H -0.968493 1.582549 0.317789
H -4.659065 1.323054 1.010282
H -5.038428 0.193585 -0.293630
H -4.686145 1.880827 -0.663317
H 1.650123 0.099855 -1.410309
H -1.830540 2.660684 -1.728095
H -2.964363 3.440135 -0.854236
H 2.818462 0.009039 1.332775
H 2.545304 1.495557 0.381601
H 4.388497 -0.859875 -0.477399
H 4.168349 0.636846 -1.403959


%chk=000112128-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000112128

0 1
N 1.777735 -0.242484 -0.403460
N -2.182025 3.069876 -0.975826
N 6.280114 1.266431 0.883685
C -1.826011 -1.684257 0.055832
C -2.596945 -0.471044 0.681295
C -0.480068 -1.254346 -0.609335
C -2.974349 0.706929 -0.272388
C -2.707755 -2.363039 -1.028921
C -1.562102 -2.722446 1.181537
C 0.630337 -0.793256 0.357536
C -2.031775 1.935233 -0.047621
C -4.456442 1.114590 -0.100037
C 2.918593 0.188731 0.425613
C 4.123781 0.522655 -0.495101
C 5.317964 0.937533 0.258753
H -2.003532 -0.070010 1.530513
H -3.522810 -0.880628 1.134321
H -0.082063 -2.099776 -1.204448
H -0.689223 -0.440645 -1.335873
H -2.836325 0.381983 -1.325937
H -3.690270 -2.654590 -0.611376
H -2.217163 -3.277001 -1.413645
H -2.890787 -1.695734 -1.891502
H -2.517648 -3.110661 1.582110
H -0.980350 -3.582905 0.799635
H -1.002734 -2.279196 2.026028
H 0.221082 -0.060935 1.096864
H 1.000860 -1.657796 0.940138
H -2.189548 2.316595 0.981474
H -0.978446 1.595323 -0.092185
H -4.659710 1.420585 0.945083
H -5.130609 0.271965 -0.340165
H -4.728343 1.958478 -0.762602
H 1.469987 0.506007 -1.042882
H -2.012093 2.840989 -1.960105
H -3.038486 3.616259 -0.851738
H 3.196313 -0.647564 1.093529
H 2.698682 1.067116 1.079190
H 4.359511 -0.367443 -1.106921
H 3.848653 1.335073 -1.196370


