%chk=000297935.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000297935

0 1
O 5.007503 1.980735 1.436727
O 5.679724 -1.871537 -0.883669
O -3.952864 1.790886 -0.562730
O -5.196928 -0.864976 -0.336315
N 2.609777 -0.259416 0.011365
N 5.363151 0.079639 0.240430
C 1.160390 -0.288480 -0.371525
C 0.307702 -0.068112 0.891998
C 3.093156 1.135410 0.228401
C 3.450911 -0.949516 -1.010562
C -1.149430 -0.256127 0.571952
C 4.532071 1.130686 0.718446
C 4.903081 -1.001079 -0.561237
C -1.906834 0.827425 0.105921
C -1.746902 -1.517663 0.722307
C -3.263570 0.648330 -0.190879
C -3.102659 -1.698169 0.441848
C -3.867419 -0.615828 -0.006848
C -4.698557 1.684039 -1.806885
C -6.140934 -0.246115 0.582325
H 0.894610 0.457423 -1.150896
H 0.923086 -1.290664 -0.796728
H 0.487897 0.940646 1.316364
H 0.634992 -0.771850 1.688835
H 2.457527 1.606077 1.020624
H 3.021341 1.799676 -0.663402
H 3.409342 -0.503654 -2.030730
H 3.085672 -2.002787 -1.110567
H 6.340935 0.054487 0.565155
H -1.465181 1.813467 -0.026640
H -1.154204 -2.362316 1.070568
H -3.580085 -2.669944 0.567095
H -5.338241 0.793493 -1.812760
H -3.990942 1.667760 -2.640116
H -5.288992 2.606487 -1.801227
H -6.042874 -0.705541 1.569482
H -7.104877 -0.490719 0.123841
H -5.976577 0.835827 0.628233


%chk=000297935-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000297935

0 1
O 5.129710 1.946099 1.495113
O 5.719417 -1.736755 -1.268418
O -4.039666 1.732164 -0.598115
O -5.287025 -0.900268 -0.256998
N 2.636846 -0.253365 -0.007181
N 5.372548 0.054637 0.169308
C 1.179623 -0.302579 -0.285112
C 0.310901 -0.091524 0.982601
C 3.124582 1.088296 0.366597
C 3.439010 -0.838530 -1.100456
C -1.166933 -0.288172 0.674961
C 4.603050 1.084516 0.746512
C 4.923286 -0.911674 -0.753597
C -1.952923 0.786286 0.190079
C -1.775763 -1.562400 0.812097
C -3.312409 0.607433 -0.141178
C -3.141481 -1.746407 0.505711
C -3.924151 -0.666236 0.045194
C -4.588850 1.601271 -1.968518
C -6.242632 -0.143697 0.586976
H 0.880708 0.443015 -1.065380
H 0.953162 -1.304043 -0.696141
H 0.471565 0.925299 1.387480
H 0.652653 -0.809905 1.749811
H 2.576087 1.465596 1.243336
H 2.991737 1.843656 -0.454406
H 3.351325 -0.270066 -2.064991
H 3.103008 -1.868979 -1.301649
H 6.370375 0.030376 0.414899
H -1.523943 1.786545 0.058685
H -1.184974 -2.409215 1.181165
H -3.628917 -2.718621 0.631853
H -5.244245 0.715827 -2.051156
H -3.762869 1.525413 -2.701181
H -5.160798 2.525169 -2.143378
H -6.148651 -0.460617 1.642944
H -7.241018 -0.404887 0.204454
H -6.067549 0.944345 0.506280


