%chk=000272504.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000272504

0 1
O 3.410447 0.656083 0.857164
O -3.188355 -1.543849 1.003777
O 0.846446 2.897526 0.730144
O -2.481506 1.846100 0.737192
O 3.814914 -0.753635 -0.865444
O -3.573678 -0.502232 -0.970102
O 2.049708 2.521004 -1.156178
O -1.545541 2.682013 -1.150351
N 1.497054 -2.925239 0.085693
C 0.954627 -1.640642 -0.011368
C -0.488079 -1.793046 0.011757
C 1.537487 -0.356077 -0.101857
C -1.309400 -0.659745 -0.076731
C 0.687800 0.746740 -0.178807
C -0.725819 0.603009 -0.173316
C -0.767797 -3.196019 0.124875
C 0.444038 -3.860476 0.164429
C 2.918512 -3.283222 0.071312
C 3.019775 -0.205052 -0.138557
C -2.796228 -0.845629 -0.113753
C 1.290018 2.119416 -0.310855
C -1.582184 1.823763 -0.304312
C 4.816245 1.033492 0.881021
C -4.615834 -1.787212 1.141969
C 1.251956 4.295431 0.708921
C -3.462169 2.920682 0.720799
H -1.752016 -3.623872 0.184908
H 0.636025 -4.918611 0.243725
H 3.422782 -2.870723 -0.833600
H 3.055116 -4.377257 0.062601
H 3.439493 -2.877828 0.958464
H 4.990215 1.756010 0.075556
H 4.921700 1.489236 1.871365
H 5.453418 0.151871 0.761356
H -5.118369 -0.838978 1.356681
H -4.655653 -2.472819 1.995102
H -5.012727 -2.240162 0.227638
H 0.953146 4.641380 1.703880
H 0.700706 4.805413 -0.088822
H 2.332186 4.374139 0.551716
H -2.973925 3.878822 0.514148
H -4.213428 2.691624 -0.042393
H -3.875305 2.880370 1.733754


%chk=000272504-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000272504

0 1
O 3.543660 0.566017 0.859920
O -3.311819 -1.984157 0.615293
O 0.706794 3.041315 0.647293
O -2.326142 2.044660 1.111994
O 3.715023 -0.720880 -1.076827
O -3.599108 0.062283 -0.440978
O 2.256425 2.363295 -0.951348
O -1.648081 2.599801 -1.050132
N 1.512418 -2.944743 0.196428
C 0.937684 -1.667881 0.112935
C -0.500935 -1.831636 0.193641
C 1.534256 -0.391745 -0.005431
C -1.342352 -0.681671 0.139457
C 0.677144 0.744178 -0.012273
C -0.743346 0.602761 0.054189
C -0.759970 -3.243234 0.305442
C 0.477112 -3.880640 0.307029
C 2.939874 -3.299324 0.212715
C 3.019526 -0.213881 -0.166281
C -2.830876 -0.792163 0.065185
C 1.302856 2.098021 -0.180020
C -1.606987 1.839103 -0.058246
C 4.945192 1.013407 0.668302
C -4.784746 -2.148629 0.558950
C 1.137193 4.443029 0.437665
C -3.306979 3.151333 1.056182
H -1.733462 -3.711477 0.398860
H 0.708657 -4.941873 0.385497
H 3.427602 -3.024191 -0.735750
H 3.026740 -4.385333 0.375110
H 3.461372 -2.781305 1.037138
H 4.973034 1.731988 -0.167912
H 5.220656 1.492723 1.617799
H 5.600384 0.155076 0.444925
H -5.278730 -1.333491 1.113446
H -4.975367 -3.122232 1.031915
H -5.131709 -2.135825 -0.487881
H 0.648443 5.009444 1.242355
H 0.798455 4.786330 -0.554226
H 2.235235 4.519608 0.502133
H -2.805047 4.096435 0.788081
H -4.078951 2.917177 0.303771
H -3.735326 3.200125 2.067158


