%chk=000232185.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000232185

0 1
O 2.275850 3.587515 0.354583
O 1.289810 -0.307106 2.538936
O 1.401181 -0.211897 -2.092153
O 3.563238 1.758526 -0.001787
O -5.563451 -0.845687 -0.890440
O -5.890303 0.497027 0.772693
N 1.289174 0.089236 0.235661
N -5.200993 0.029951 -0.120282
C 1.103305 1.547504 0.322960
C 0.143778 2.095462 -0.747258
C 1.415228 -0.736578 1.424545
C 1.483821 -0.666920 -0.981998
C 1.694481 -2.112174 0.904262
C 1.741191 -2.070890 -0.518054
C -1.248106 1.557948 -0.578730
C 2.475691 2.235324 0.187301
C 1.895919 -3.288909 1.592749
C 1.992611 -3.206333 -1.257189
C -1.723893 0.564568 -1.451831
C -2.076714 2.048456 0.445408
C 2.152909 -4.457398 0.835406
C 2.200773 -4.416993 -0.552759
C -3.015021 0.062976 -1.307953
C -3.369267 1.552296 0.599488
C -3.832809 0.559862 -0.279698
C 3.455550 4.435638 0.292744
H 0.705326 1.783556 1.357553
H 0.140395 3.209694 -0.690335
H 0.537887 1.860537 -1.766663
H 1.861205 -3.325194 2.682823
H 2.033290 -3.179460 -2.347285
H -1.074713 0.183894 -2.245883
H -1.710796 2.820214 1.123275
H 2.315993 -5.400578 1.360669
H 2.402429 -5.328324 -1.119257
H -3.399014 -0.710536 -1.982333
H -4.025950 1.924454 1.393893
H 4.153813 4.148935 1.085710
H 3.037815 5.434952 0.454971
H 3.924267 4.339551 -0.691739


%chk=000232185-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000232185

0 1
O 2.399704 3.677770 0.163604
O 0.958177 -0.260022 2.539583
O 1.753965 -0.063878 -2.099324
O 3.630449 1.698622 0.144452
O -5.505510 -1.097128 -0.964749
O -5.844937 0.106058 0.943079
N 1.289224 0.179507 0.226530
N -5.128932 -0.238736 -0.075586
C 1.146358 1.631862 0.313879
C 0.107437 2.219534 -0.694090
C 1.221890 -0.664396 1.381546
C 1.629718 -0.552976 -0.948772
C 1.518406 -2.043211 0.888080
C 1.767033 -1.976094 -0.504686
C -1.263134 1.583849 -0.536036
C 2.535368 2.293438 0.183574
C 1.573335 -3.259372 1.584890
C 2.079213 -3.123708 -1.247882
C -1.732613 0.637980 -1.485209
C -2.092199 1.915772 0.568884
C 1.889272 -4.426532 0.841890
C 2.138710 -4.359582 -0.552624
C -2.998271 0.035566 -1.344403
C -3.359025 1.325288 0.730351
C -3.794244 0.388867 -0.233632
C 3.670190 4.446637 0.093917
H 0.798784 1.831272 1.348522
H 0.061727 3.305009 -0.499607
H 0.485685 2.071781 -1.718563
H 1.379463 -3.298957 2.661170
H 2.272037 -3.060416 -2.323265
H -1.098943 0.379095 -2.340863
H -1.745174 2.649206 1.306270
H 1.942353 -5.394633 1.351013
H 2.381679 -5.277038 -1.099042
H -3.376067 -0.691648 -2.067815
H -4.010422 1.570996 1.572952
H 4.295573 4.220945 0.973442
H 3.359215 5.500091 0.084520
H 4.220401 4.182280 -0.823998


