%chk=000298782.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000298782

0 1
O 3.344870 2.645554 0.472783
O -3.345922 2.665545 0.374367
N 0.632612 1.601163 -0.927580
N -0.662427 1.600971 -0.912928
N 0.661124 1.294091 1.466211
N -0.634327 1.295981 1.481049
C 3.569307 0.302725 0.060666
C -3.569646 0.291833 0.206532
C 5.060426 -2.050781 -0.301478
C -5.054017 -2.081943 -0.021075
C 2.996493 -0.802532 -0.587533
C -3.024696 -0.924937 0.644552
C 4.899607 0.227122 0.517675
C -4.869260 0.316715 -0.335445
C 3.737157 -1.969764 -0.768284
C -3.762461 -2.102696 0.532827
C 5.636173 -0.940684 0.343386
C -5.601991 -0.860585 -0.454215
C 2.842488 1.570022 0.272946
C -2.843793 1.573778 0.310067
C 5.858891 -3.296307 -0.488057
C -5.848813 -3.337434 -0.147218
C 1.314440 1.473171 0.264747
C -1.315887 1.474716 0.295676
H 1.974991 -0.752983 -0.968037
H -2.029056 -0.956942 1.090492
H 5.347138 1.096187 1.009935
H -5.296596 1.270016 -0.660966
H 3.286821 -2.820707 -1.277101
H -3.334718 -3.041761 0.880689
H 6.662574 -0.993766 0.704025
H -6.604267 -0.835217 -0.879839
H 6.236060 -3.680829 0.471833
H 5.287232 -4.109232 -0.955705
H 6.737139 -3.114142 -1.126936
H -6.760513 -3.294469 0.468952
H -6.172225 -3.507603 -1.185387
H -5.294130 -4.232277 0.165672


%chk=000298782-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000298782

0 1
O 2.521620 0.980396 2.039571
O -2.514481 1.416857 -1.560797
N 1.028090 -0.313552 -0.865047
N -0.262238 -0.265132 -1.321863
N 0.266257 -0.593549 1.410670
N -1.023932 -0.529683 0.955572
C 3.860591 -0.310126 0.484316
C -3.856281 -0.204226 -0.357302
C 6.398276 -1.198582 -0.488738
C -6.396222 -1.297534 0.370318
C 3.935781 -1.235133 -0.594132
C -3.934069 -1.353758 0.477547
C 5.070724 0.165473 1.070122
C -5.064969 0.392631 -0.822842
C 5.190898 -1.668328 -1.066670
C -5.190310 -1.886322 0.830288
C 6.313614 -0.271984 0.590529
C -6.309011 -0.145619 -0.463884
C 2.584594 0.179247 1.056923
C -2.579114 0.405975 -0.795672
C 7.747467 -1.660358 -1.001894
C -7.746470 -1.867948 0.755831
C 1.246495 -0.253495 0.491263
C -1.241845 -0.149909 -0.347925
H 3.021723 -1.595496 -1.072746
H -3.021352 -1.813485 0.864961
H 5.001230 0.875142 1.901251
H -4.993312 1.275832 -1.466313
H 5.236147 -2.378706 -1.899946
H -5.237578 -2.770870 1.475553
H 7.236184 0.102092 1.050266
H -7.230381 0.323712 -0.828850
H 8.350142 -2.111436 -0.191504
H 7.644846 -2.407068 -1.806809
H 8.331620 -0.809491 -1.400900
H -8.325770 -1.141652 1.357086
H -8.352929 -2.099667 -0.139513
H -7.645236 -2.792247 1.348574


