%chk=000246032.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000246032

0 1
S 0.050283 -0.303836 -0.258922
O -0.155040 0.645267 0.824730
O 0.373595 -1.680972 0.051569
O -3.062733 -2.535296 -0.493056
O -3.100153 -1.576573 1.561129
O -4.583410 1.841096 -0.702346
N -2.769956 0.980895 0.373773
N 6.472798 0.333638 0.977906
C -1.416411 -0.324881 -1.266042
C -2.728062 -0.207833 -0.485502
C 1.261810 0.333396 -1.377114
C 2.608893 0.336657 -0.720897
C -2.968099 -1.467647 0.371476
C 3.242738 -0.878148 -0.402304
C 3.256275 1.548130 -0.434907
C -3.773075 1.947411 0.203944
C 4.502056 -0.886214 0.186442
C 4.518172 1.557573 0.155618
C 5.153503 0.336484 0.465972
C -3.736825 3.071094 1.194452
C -3.212713 -3.851590 0.106911
H -1.460690 -1.270200 -1.859400
H -1.406214 0.479840 -2.028991
H -3.586746 -0.148564 -1.231879
H 1.004804 1.356463 -1.723259
H 1.321862 -0.263208 -2.312970
H -2.053695 1.049943 1.120374
H 2.731921 -1.827404 -0.594783
H 2.770736 2.495862 -0.666896
H 4.981786 -1.831986 0.426358
H 5.010250 2.502839 0.367716
H -4.468510 3.846601 0.916089
H -3.999746 2.726961 2.206632
H -2.751573 3.553157 1.259671
H -3.957409 -3.822618 0.909544
H -3.540695 -4.466485 -0.736762
H -2.235339 -4.165045 0.490717
H 6.760400 -0.500871 1.468930
H 6.770911 1.173666 1.452475


%chk=000246032-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000246032

0 1
S -0.027163 -0.102502 -0.418304
O -0.175894 1.191975 0.604580
O 0.189709 -1.599754 0.215573
O -2.851984 -2.475856 -0.361848
O -3.137306 -1.307668 1.639781
O -5.217552 1.495959 -0.320237
N -2.984514 1.164258 0.225304
N 6.383154 0.016449 1.328835
C -1.705273 -0.137870 -1.465435
C -2.916942 -0.082419 -0.524826
C 1.585251 0.341020 -1.745442
C 2.828635 0.264646 -0.986056
C -2.974769 -1.321035 0.406581
C 3.543319 -0.965737 -0.867045
C 3.329841 1.403488 -0.284841
C -4.176335 1.863803 0.311711
C 4.717678 -1.052383 -0.110566
C 4.502491 1.329185 0.475121
C 5.219997 0.096390 0.576559
C -4.150601 3.090140 1.212491
C -2.711577 -3.738648 0.404735
H -1.641110 -1.085766 -2.018549
H -1.641806 0.753934 -2.108769
H -3.837995 -0.118090 -1.149539
H 1.251020 1.340076 -2.059644
H 1.409752 -0.443633 -2.495741
H -2.128565 1.441376 0.731938
H 3.159424 -1.860074 -1.370802
H 2.777130 2.348384 -0.334116
H 5.252369 -2.006270 -0.031700
H 4.870661 2.214685 1.006492
H -4.635170 3.933585 0.693481
H -4.740813 2.877622 2.121744
H -3.130321 3.378968 1.516060
H -3.550897 -3.854006 1.110153
H -2.714111 -4.533044 -0.354603
H -1.756112 -3.712621 0.954279
H 6.882230 -0.863625 1.427234
H 6.729849 0.822662 1.841807


