%chk=000248867.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000248867

0 1
O 0.424660 0.770167 2.033287
O -0.053486 -2.048868 0.171109
O 2.362588 -1.460850 0.846749
O 3.260479 2.499355 0.565050
O 0.907302 -2.437110 -1.846876
O 4.411266 -0.689596 0.251853
O -5.611537 2.407658 -0.972744
O 3.058394 1.802209 -1.574136
N -1.609734 0.845766 0.876897
N -3.159695 -0.848491 -0.183328
N -2.904424 2.705915 0.542260
N -5.183459 0.156553 -1.085217
N -4.736665 -2.169931 -1.411032
C 0.239992 -0.642185 0.078279
C 1.727738 -0.282705 0.291388
C -0.502991 -0.034311 1.306433
C 1.714076 0.838479 1.351950
C 1.851468 2.254689 0.778969
C -2.769130 0.436762 0.205266
C -1.756376 2.266562 1.063351
C -3.555869 1.595368 -0.001423
C 0.371311 -2.884914 -0.870661
C 3.744165 -1.571285 0.732129
C -4.849121 1.520139 -0.706415
C -4.415654 -0.883767 -0.890329
C -0.000782 -4.275519 -0.509659
C 3.786448 2.171415 -0.683567
C 4.151095 -2.881401 1.299727
C 5.256154 2.343839 -0.643268
H -0.115381 -0.267986 -0.911059
H 2.248223 -0.001206 -0.660250
H -0.874048 -0.807927 2.027259
H 2.452153 0.657326 2.167694
H 1.574307 3.022200 1.528195
H 1.280732 2.413425 -0.155154
H -1.004248 2.839662 1.585420
H -2.498194 -1.622091 -0.186233
H -0.749197 -4.677932 -1.213461
H -0.412243 -4.360103 0.509439
H 0.878383 -4.940061 -0.568164
H 4.549950 -3.540855 0.510041
H 3.317397 -3.411169 1.789497
H 4.953162 -2.753945 2.046328
H 5.733468 1.360640 -0.449976
H 5.587167 3.025481 0.155931
H 5.644536 2.714782 -1.604472
H -5.599608 -2.167342 -1.964373
H -4.756372 -2.920242 -0.727102


%chk=000248867-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000248867

0 1
O 0.375592 1.476152 1.464243
O -0.234300 -1.502298 -0.545883
O 2.025666 -1.305630 1.019765
O 3.835134 2.439927 0.503615
O 1.120278 -1.597298 -2.440004
O 4.308939 -0.852150 0.889522
O -6.335128 1.359453 -0.422676
O 3.930537 1.513689 -1.637476
N -1.787525 0.970093 0.647566
N -3.054662 -1.141503 0.220453
N -3.505970 2.455121 0.371158
N -5.411177 -0.798349 -0.237639
N -4.496688 -2.966265 -0.207172
C 0.299426 -0.158618 -0.257278
C 1.772769 -0.089942 0.199243
C -0.474617 0.404027 0.960033
C 1.801599 1.182577 1.092443
C 2.355998 2.453384 0.424202
C -2.927644 0.234340 0.347310
C -2.203852 2.331825 0.649251
C -3.983317 1.141880 0.172989
C 0.253411 -2.130952 -1.727870
C 3.380736 -1.590249 1.282252
C -5.327350 0.644604 -0.186085
C -4.365868 -1.586767 -0.069586
C -0.437125 -3.456090 -1.936734
C 4.521880 1.893203 -0.603117
C 3.521427 -2.874970 2.062760
C 5.998375 1.817921 -0.322373
H 0.167386 0.490395 -1.142208
H 2.489048 -0.044788 -0.634197
H -0.594927 -0.398625 1.718800
H 2.363618 0.987800 2.022643
H 2.041393 3.332677 1.006687
H 2.032567 2.549291 -0.627333
H -1.510632 3.133247 0.881243
H -2.223162 -1.724281 0.069510
H -1.519890 -3.303994 -2.099643
H -0.314366 -4.097967 -1.047246
H -0.009734 -3.957391 -2.816418
H 3.927789 -3.659021 1.398547
H 2.554481 -3.210577 2.463973
H 4.245125 -2.731999 2.881874
H 6.190729 0.863252 0.200985
H 6.325823 2.642412 0.329099
H 6.560560 1.821584 -1.268021
H -5.435744 -3.284706 -0.442058
H -3.878209 -3.607825 0.286452


