%chk=000258080.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000258080

0 1
S 1.017866 -3.141576 0.703548
S 2.592535 -2.193739 -0.730675
O 0.884633 0.177416 1.540969
O 2.846022 2.161687 -0.649060
N -1.415030 0.166625 0.978474
N -3.162987 1.615345 1.401180
N -1.433001 0.322097 -1.536771
N -3.204426 1.788169 -2.378439
N -4.700777 2.945580 -0.959711
N 4.312377 -0.758652 -2.518045
C 0.172249 -1.617214 0.175051
C 1.290152 -0.883679 -0.569441
C -0.242172 -0.674560 1.311370
C 1.736236 0.260713 0.349185
C 1.568379 1.666471 -0.251597
C -1.866353 0.624555 -0.269903
C -2.238563 0.837510 1.959816
C 1.646979 -2.836373 2.389142
C -2.966723 1.508866 0.012439
C 2.746038 -3.852221 2.610742
C -3.639879 2.096314 -1.100494
C 3.602839 -1.321622 -1.802600
C -2.148579 0.935056 -2.524137
H -0.679335 -1.907528 -0.490629
H 0.969572 -0.529104 -1.577069
H -0.440405 -1.155074 2.301277
H 2.764461 0.147175 0.768903
H 1.245547 2.384762 0.532084
H 0.858338 1.704888 -1.095536
H -2.081050 0.684990 3.019289
H 2.029428 -1.797767 2.489342
H 0.828186 -2.963355 3.121822
H 3.174686 1.689158 -1.447423
H 2.396943 -4.889166 2.506153
H 3.589947 -3.717558 1.915889
H 3.161723 -3.759355 3.625756
H -1.839687 0.721489 -3.563521
H -5.029213 3.204197 -0.040946
H -5.146854 3.353981 -1.767335


%chk=000258080-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000258080

0 1
S 0.782070 -3.272799 0.966397
S 2.543059 -2.042318 -1.359751
O 0.820865 0.267104 1.525636
O 3.443813 1.788821 -0.623462
N -1.530231 0.094036 0.916499
N -3.532812 1.157716 1.318539
N -1.263177 0.690350 -1.502925
N -3.140327 2.044778 -2.330458
N -4.951511 2.693716 -0.959930
N 3.702552 -0.097786 -3.252220
C 0.190729 -1.642380 0.194783
C 1.257676 -0.836962 -0.580107
C -0.298745 -0.640074 1.272323
C 1.845506 0.187418 0.424989
C 2.086534 1.619271 -0.107806
C -1.905489 0.699026 -0.296481
C -2.545318 0.417892 1.842044
C 2.114724 -2.707690 2.213631
C -3.143846 1.340219 -0.022430
C 2.435988 -3.892610 3.135343
C -3.763001 2.035972 -1.102739
C 3.221694 -0.884682 -2.483675
C -1.952170 1.385976 -2.459967
H -0.624450 -1.966036 -0.471497
H 0.760642 -0.325418 -1.421293
H -0.528117 -1.153858 2.222138
H 2.785656 -0.170498 0.883932
H 2.017581 2.304618 0.752451
H 1.311102 1.897081 -0.849871
H -2.497427 0.083117 2.876610
H 3.000275 -2.392767 1.638002
H 1.717791 -1.846089 2.775422
H 3.525461 1.435526 -1.547213
H 1.548399 -4.208360 3.711164
H 2.805412 -4.762395 2.563446
H 3.225457 -3.600395 3.851716
H -1.494937 1.420066 -3.453163
H -5.423498 2.700849 -0.057857
H -5.347825 3.178067 -1.763122


