%chk=000285256.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000285256

0 1
O -3.358787 1.241125 0.430319
O -1.808135 -3.272540 1.815810
O -4.211807 1.416144 -1.658405
O 0.029791 0.947435 -2.646823
O -0.802033 -1.258881 1.604133
O 7.265408 1.039385 -1.057270
N -0.971611 0.463510 -0.656230
N 5.013530 0.740051 -0.855143
C -2.218738 0.030495 -1.299783
C -2.586769 -1.432054 -0.978134
C -2.938138 -1.718600 0.482781
C -3.373140 0.970669 -0.915794
C 0.105771 0.905965 -1.429447
C 1.326198 1.304458 -0.649678
C -1.723520 -1.995869 1.326091
C 2.564576 0.843282 -1.104690
C 3.734834 1.204791 -0.409623
C 1.232630 2.136720 0.471243
C -4.377096 2.150901 0.962003
C 3.644898 2.026788 0.733687
C 2.399276 2.492574 1.155203
C -0.726892 -3.765052 2.674416
C -5.697082 1.423813 1.104587
C 5.086983 -0.543961 -1.595727
C 0.476242 -4.125696 1.830269
C 6.200819 1.484427 -0.672573
H -2.095052 0.130040 -2.428816
H -3.450349 -1.721331 -1.617058
H -1.749770 -2.085797 -1.307494
H -3.483262 -0.853020 0.938436
H -3.641985 -2.579804 0.538149
H -0.898471 0.319897 0.362403
H 2.610290 0.229905 -2.006537
H 0.265904 2.508610 0.808818
H -4.445000 3.027602 0.292943
H -3.920425 2.427349 1.929879
H 4.534338 2.291790 1.301949
H 2.334942 3.135743 2.034047
H -0.502001 -2.991941 3.430296
H -1.216750 -4.641506 3.137132
H -6.449481 2.056545 1.592442
H -5.599984 0.507191 1.697744
H -6.101726 1.140155 0.120380
H 4.702050 -0.435112 -2.623487
H 4.521317 -1.331095 -1.073347
H 6.145822 -0.869155 -1.668418
H 0.203978 -4.788370 0.998656
H 0.940886 -3.228218 1.394421
H 1.244206 -4.635886 2.424557
H 6.077316 2.457427 -0.174917


%chk=000285256-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000285256

0 1
O -2.663823 1.678392 -0.682145
O -2.702768 -3.511306 2.319360
O -4.416864 0.170369 -0.963867
O 0.161282 0.556069 -2.557769
O -1.295330 -1.783460 1.683472
O 6.704161 3.518096 -1.125996
N -0.811351 -0.330230 -0.643484
N 4.827557 2.104814 -1.262585
C -2.084684 -0.593925 -1.307815
C -2.588794 -2.052635 -1.120025
C -3.218193 -2.446792 0.242802
C -3.186069 0.427868 -0.954179
C 0.246793 0.230665 -1.326473
C 1.525665 0.434266 -0.546290
C -2.292590 -2.520083 1.443733
C 2.554871 1.144557 -1.206052
C 3.797606 1.383909 -0.573395
C 1.734242 -0.044163 0.773125
C -3.645579 2.775784 -0.399602
C 4.013208 0.874710 0.738114
C 2.979054 0.181327 1.399567
C -1.920010 -3.679196 3.589756
C -3.992712 2.815552 1.090593
C 4.873216 2.097510 -2.740539
C -0.749867 -4.641552 3.374658
C 5.758205 2.889391 -0.576944
H -1.882236 -0.436181 -2.389985
H -3.377462 -2.221950 -1.874792
H -1.748715 -2.727229 -1.367503
H -4.026369 -1.726360 0.480422
H -3.711933 -3.429048 0.147437
H -0.749952 -0.627210 0.339947
H 2.343144 1.496431 -2.220166
H 0.965557 -0.608182 1.311371
H -4.543424 2.611306 -1.020835
H -3.112655 3.682103 -0.727028
H 4.988232 0.977547 1.224253
H 3.158494 -0.210228 2.406829
H -1.573351 -2.685004 3.920934
H -2.664779 -4.080444 4.294854
H -4.643257 3.685753 1.296607
H -3.081057 2.913574 1.704555
H -4.534079 1.903438 1.393309
H 4.076845 2.730939 -3.172325
H 4.760495 1.067890 -3.118403
H 5.849412 2.507866 -3.042472
H -1.103005 -5.611572 2.984966
H -0.013993 -4.218961 2.670088
H -0.238568 -4.823194 4.338041
H 5.569432 2.929679 0.515277


