%chk=000258378.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000258378

0 1
O -3.819710 0.987998 -0.677434
O 1.742109 1.468007 -0.199319
O 4.616827 -0.124052 -0.736190
O -4.416239 -1.153606 -0.278187
O 4.477316 0.488707 1.445553
N -0.167948 -1.620058 0.243599
C -1.041232 0.424548 -0.280057
C 0.162625 -0.258313 -0.009021
C -2.104572 -0.530011 -0.185353
C -1.531460 -1.787514 0.138580
C 1.509879 0.300339 0.024802
C -1.181189 1.848193 -0.611241
C -2.193451 -3.086897 0.343849
C -3.528635 -0.324395 -0.365210
C 2.629838 -0.684337 0.356050
C 3.975828 -0.015047 0.472419
C -5.229006 1.342536 -0.850281
C 5.935952 0.497892 -0.875091
C -5.882318 1.519550 0.504708
C 6.986493 -0.355276 -0.196664
H 0.505088 -2.330889 0.462644
H -0.280825 2.435193 -0.351049
H -2.053311 2.301040 -0.106244
H -1.354982 1.988640 -1.691805
H -2.042964 -3.488363 1.356443
H -1.871467 -3.849629 -0.379864
H -3.297323 -2.981061 0.212602
H 2.418164 -1.194434 1.320465
H 2.673841 -1.465870 -0.435890
H -5.718977 0.561778 -1.459377
H -5.135459 2.286119 -1.417609
H 5.883025 1.520921 -0.461229
H 6.033955 0.523626 -1.975945
H -6.891636 1.936489 0.413128
H -5.968092 0.556067 1.029951
H -5.298556 2.188139 1.150010
H 7.997424 0.016495 -0.402375
H 6.852605 -0.353857 0.896312
H 6.939381 -1.399169 -0.529982


%chk=000258378-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000258378

0 1
O -3.891373 0.988121 -0.735856
O 1.898256 1.476600 -0.153579
O 4.635914 -0.148193 -0.679843
O -4.394179 -1.244734 -0.264838
O 4.516844 0.295090 1.611721
N -0.171321 -1.542933 0.300917
C -1.029739 0.492969 -0.266789
C 0.175317 -0.193224 0.033105
C -2.094791 -0.479783 -0.171235
C -1.526288 -1.737085 0.184125
C 1.558311 0.277943 0.084003
C -1.142910 1.952530 -0.612260
C -2.164944 -3.073580 0.413331
C -3.539991 -0.321189 -0.379233
C 2.632630 -0.788801 0.448582
C 4.011552 -0.161665 0.563595
C -5.348669 1.242582 -0.949660
C 5.959739 0.546829 -0.751413
C -6.043064 1.578850 0.373272
C 7.098120 -0.407902 -0.381478
H 0.489646 -2.278657 0.546409
H -0.150969 2.426385 -0.612826
H -1.800897 2.471686 0.107675
H -1.618510 2.081826 -1.600756
H -1.415366 -3.836342 0.692157
H -2.702739 -3.412104 -0.489198
H -2.928197 -3.012175 1.208045
H 2.384741 -1.248019 1.423518
H 2.648513 -1.569779 -0.334481
H -5.797215 0.350803 -1.421409
H -5.361633 2.092818 -1.650600
H 5.928803 1.419723 -0.076471
H 6.017825 0.879133 -1.799940
H -7.098386 1.849499 0.182533
H -6.027844 0.711430 1.054106
H -5.552319 2.433719 0.870039
H 8.069871 0.101272 -0.521157
H 7.021074 -0.717617 0.674107
H 7.085184 -1.306526 -1.022519


