%chk=000206449.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000206449

0 1
O -7.131008 1.813262 -0.815007
N -0.483092 -0.517745 0.024952
N -3.225832 0.459936 0.076324
N 3.234534 -0.088330 0.759521
C -0.783760 0.955985 0.168514
C 0.799898 -0.929600 0.717130
C 0.322969 1.812573 -0.500143
C -2.127490 1.273102 -0.537543
C -1.611593 -1.332819 0.592425
C 1.868003 0.088062 0.453823
C 1.662486 1.357222 -0.066442
C -2.926849 -0.993935 -0.130974
C 2.937378 2.023639 -0.113754
C 1.225215 -2.289098 0.183300
C -4.556904 0.834413 -0.501108
C 3.909051 1.091402 0.396898
C -5.647580 0.496329 0.528319
C 3.365093 3.297577 -0.528090
C 1.579250 -3.306776 1.080184
C 1.287537 -2.521859 -1.197993
C 5.276580 1.418829 0.490196
C 4.710070 3.613757 -0.433420
C 5.654909 2.682066 0.070307
C 1.996318 -4.549757 0.594510
C 1.702900 -3.766345 -1.677765
C -6.983767 1.089000 0.143702
C 2.059393 -4.781141 -0.783018
C -8.132829 0.717819 1.040631
H -0.863544 1.244700 1.248871
H 0.655144 -0.989928 1.834731
H 0.165749 2.881486 -0.256760
H 0.257531 1.729700 -1.607719
H -2.364265 2.348925 -0.390286
H -2.026984 1.101681 -1.631908
H -1.740617 -1.181089 1.687135
H -1.372516 -2.407529 0.428799
H -2.849170 -1.272767 -1.205209
H -3.752282 -1.593553 0.306522
H 3.656139 -0.944410 1.062384
H -4.778987 0.338774 -1.470183
H -4.583986 1.929815 -0.706282
H -5.732857 -0.599140 0.663149
H -5.337945 0.879083 1.526780
H 2.641321 4.011036 -0.914363
H 1.527231 -3.138580 2.153638
H 1.000987 -1.723685 -1.886972
H 5.996167 0.705159 0.875370
H 5.063368 4.592957 -0.748788
H 6.701446 2.979441 0.122701
H 2.270486 -5.339363 1.291633
H 1.749618 -3.945421 -2.750760
H 2.384120 -5.749264 -1.158838
H -8.384998 -0.346627 0.953706
H -9.038336 1.284886 0.774868
H -7.919200 0.918743 2.097103


%chk=000206449-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000206449

0 1
O -7.127745 2.224899 -0.348309
N -0.481015 -0.417185 0.094207
N -3.231709 0.573093 0.193385
N 3.250655 -0.098443 0.650416
C -0.762700 1.048136 0.258260
C 0.798675 -0.871423 0.726251
C 0.327652 1.924888 -0.410186
C -2.128762 1.381768 -0.375777
C -1.606745 -1.233330 0.626086
C 1.884159 0.133336 0.428075
C 1.699441 1.416769 -0.067117
C -2.939617 -0.862462 -0.032946
C 3.010504 2.026021 -0.175985
C 1.198198 -2.273280 0.242950
C -4.550762 1.000720 -0.332652
C 3.968684 1.046862 0.281369
C -5.720105 0.393639 0.461173
C 3.478414 3.294674 -0.608317
C 1.645733 -3.249634 1.165290
C 1.176240 -2.586148 -1.139274
C 5.355482 1.305267 0.307599
C 4.862622 3.557863 -0.582037
C 5.791121 2.573886 -0.130446
C 2.072501 -4.522372 0.715875
C 1.595163 -3.856030 -1.589216
C -7.056470 1.102045 0.219081
C 2.048521 -4.827953 -0.663447
C -8.304723 0.374037 0.706412
H -0.812366 1.302696 1.347471
H 0.674661 -0.931259 1.843038
H 0.190497 2.971453 -0.072799
H 0.175295 1.920299 -1.509575
H -2.345221 2.451747 -0.197727
H -2.041525 1.228655 -1.483068
H -1.710068 -1.096341 1.732592
H -1.384195 -2.298314 0.434092
H -2.891308 -1.100991 -1.126762
H -3.739046 -1.478601 0.416467
H 3.649070 -0.993014 0.930334
H -4.668917 0.756496 -1.419264
H -4.617702 2.100414 -0.250722
H -5.855208 -0.687568 0.261574
H -5.488053 0.473915 1.544959
H 2.775061 4.058439 -0.959576
H 1.645149 -3.020426 2.239176
H 0.815840 -1.825795 -1.840480
H 6.073688 0.553578 0.654304
H 5.237209 4.532830 -0.913728
H 6.861607 2.808226 -0.123187
H 2.412918 -5.272297 1.438939
H 1.572544 -4.091050 -2.659511
H 2.375052 -5.813276 -1.014780
H -8.567940 -0.423514 -0.016338
H -9.153140 1.072563 0.776768
H -8.132811 -0.115910 1.681881


