%chk=000112315.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000112315

0 1
O 2.778196 1.220827 -0.010755
O -2.778637 -1.211816 0.034252
N 2.511712 -1.071666 0.025243
N -2.512409 1.080726 -0.001487
C 4.048638 0.638846 -0.003476
C -4.049110 -0.629991 0.027002
C 5.294731 1.280149 -0.015230
C -5.295149 -1.271417 0.038646
C 3.898577 -0.780808 0.018800
C -3.899243 0.789688 0.004887
C 6.278278 -0.984289 0.018577
C -6.278957 0.992911 0.005071
C 6.401361 0.429943 -0.003587
C -6.401872 -0.421337 0.027067
C 5.028182 -1.606816 0.030042
C -5.028931 1.615580 -0.006296
C 1.891365 0.099729 0.007903
C -1.891890 -0.090546 0.015740
C 5.415857 2.762147 -0.038261
C -5.416112 -2.753433 0.061521
C 0.487910 0.465725 0.004189
C -0.488441 -0.456534 0.019458
C 7.525456 -1.808044 0.029563
C -7.526229 1.816524 -0.005914
H 7.400503 0.864928 -0.011767
H -7.400966 -0.856440 0.035162
H 4.916378 -2.688143 0.047002
H -4.917244 2.696919 -0.023133
H 5.955880 3.135861 0.844207
H 5.962002 3.108148 -0.928182
H 4.432347 3.257054 -0.049335
H -5.956389 -3.127101 -0.820808
H -4.432546 -3.248236 0.072213
H -5.961921 -3.099597 0.951587
H 0.281325 1.547222 -0.011955
H -0.281859 -1.538036 0.035607
H 8.141111 -1.612610 -0.860515
H 8.144366 -1.584163 0.910635
H 7.322494 -2.887287 0.047283
H -7.323387 2.895813 -0.022187
H -8.144366 1.593598 -0.887777
H -8.142612 1.619970 0.883407


%chk=000112315-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000112315

0 1
O 2.799794 1.288674 -0.011254
O -2.800332 -1.279882 0.034821
N 2.514660 -1.020792 0.025188
N -2.515234 1.029592 -0.001645
C 4.078268 0.688721 -0.003650
C -4.078807 -0.679948 0.027207
C 5.330708 1.323954 -0.015618
C -5.331241 -1.315196 0.039199
C 3.896616 -0.725740 0.018719
C -3.897184 0.734517 0.004822
C 6.302279 -0.991889 0.018900
C -6.302849 1.000632 0.004640
C 6.433197 0.433047 -0.003650
C -6.433744 -0.424306 0.027225
C 5.018070 -1.582948 0.030291
C -5.018649 1.591709 -0.006750
C 1.894840 0.161510 0.007435
C -1.895386 -0.152689 0.016115
C 5.486184 2.831807 -0.039205
C -5.486697 -2.823050 0.062861
C 0.491902 0.483926 0.003965
C -0.492448 -0.475100 0.019585
C 7.553351 -1.855162 0.029807
C -7.553935 1.863883 -0.006399
H 7.443790 0.862643 -0.012288
H -7.444330 -0.853918 0.035888
H 4.888624 -2.668907 0.047260
H -4.889216 2.677669 -0.023720
H 6.042320 3.187419 0.847720
H 6.048487 3.159003 -0.933109
H 4.505510 3.333922 -0.050464
H -6.043205 -3.178673 -0.823825
H -4.506015 -3.325158 0.073723
H -6.048620 -3.150242 0.957006
H 0.226784 1.546337 -0.011975
H -0.227330 -1.537511 0.035528
H 8.177432 -1.669165 -0.864532
H 8.181220 -1.641598 0.915306
H 7.301957 -2.929089 0.046980
H -7.302557 2.937832 -0.022368
H -8.181101 1.651155 -0.892603
H -8.178715 1.677010 0.887263


